data_1p6q_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 1p6q _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' A' ' 53' ' ' HIS . 2.3 tp -122.52 93.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.34 142.46 49.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.605 ' O ' ' O ' ' A' ' 33' ' ' GLN . 7.8 t -101.88 127.54 55.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.744 HD21 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -108.4 117.26 33.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 1.5 pp -135.1 108.95 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 37' ' ' ALA . 14.4 p -132.39 130.1 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.554 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 2.4 m-20 -139.41 144.28 38.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.522 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.6 t70 -57.53 -45.57 84.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.96 142.85 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.7 t -71.18 -42.42 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.59 -36.96 72.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.451 ' O ' HD23 ' A' ' 22' ' ' LEU . 15.8 m -72.34 -56.89 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.554 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.45 -29.51 70.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.47 -43.83 65.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.8 mt -59.21 -56.73 18.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.501 ' CD2' ' OD2' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.64 -49.24 73.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.33 -29.59 74.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 30.6 t70 -76.47 -48.59 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.7 84.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.429 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -70.93 -27.27 63.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.589 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.8 mm-40 -60.73 -47.9 84.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -68.34 -12.98 61.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -93.32 -12.55 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.585 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 65.26 29.21 74.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.765 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -19.1 -100.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.024 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 4.3 tptt -162.22 -56.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.79 126.99 5.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.758 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -94.27 112.36 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.744 ' O ' HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.05 115.83 22.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.19 140.82 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.589 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -150.28 129.69 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 34.14 -89.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.5 -171.23 3.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.7 -43.5 4.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.467 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.6 mt-10 -67.72 -56.1 10.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.481 ' O ' HD12 ' A' ' 46' ' ' ILE . 1.5 tt0 -59.59 -42.47 92.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 47' ' ' MET . . . -72.33 -24.17 76.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 7.0 tpt -69.45 -48.62 60.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.67 -41.67 71.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.493 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -65.71 -33.77 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.673 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 35.8 ttp -77.35 -46.75 21.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.46 88.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 13.6 mm-40 -49.81 -20.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.632 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -133.51 -175.03 0.44 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.95 149.74 37.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.879 ' NE2' ' HG1' ' A' ' 79' ' ' THR . 56.2 p-80 -167.01 155.62 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.626 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.622 ' N ' ' O ' ' A' ' 8' ' ' LYS . 69.9 t60 -147.2 14.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.506 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -156.07 134.85 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.774 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 26.3 t -134.18 96.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -115.87 134.77 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.62 170.83 15.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.95 -173.76 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -114.31 17.04 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 111.003 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.522 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.8 OUTLIER -57.33 -81.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.663 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -159.96 49.81 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.663 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.01 140.33 25.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.545 1.813 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 32.4 mmtt -75.7 -19.83 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.489 ' CG ' HD11 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -138.96 84.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 68' ' ' GLY . 28.6 t0 -76.03 176.49 7.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -33.91 -60.43 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.409 HD21 ' N ' ' A' ' 67' ' ' LEU . 2.2 mt -56.69 -44.91 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.4 -43.02 76.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.51 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -65.16 -42.02 94.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.604 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -57.85 -45.13 86.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' N ' HD11 ' A' ' 70' ' ' LEU . 72.3 mt-30 -60.87 -35.59 76.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.2 -45.42 69.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.688 HG22 ' N ' ' A' ' 74' ' ' ARG . 1.8 m -55.58 -36.3 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.688 ' N ' HG22 ' A' ' 73' ' ' VAL . 2.0 mtp180 -59.94 -20.06 55.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.38 -23.74 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -127.99 113.5 20.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.472 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.06 -5.38 16.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.96 -34.22 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.879 ' HG1' ' NE2' ' A' ' 52' ' ' HIS . 8.5 t -104.08 7.29 36.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.389 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -73.4 -10.99 60.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -106.93 7.46 30.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.601 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.09 127.43 43.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.506 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.52 121.83 32.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.774 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.44 149.86 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -121.68 136.56 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.453 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -134.16 112.01 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.548 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.62 129.01 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.467 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.1 OUTLIER -151.58 162.4 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.423 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.72 38.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.0 OUTLIER -125.1 -59.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.8 73.73 0.25 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.67 118.23 24.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -21.88 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.8 -48.72 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -35.63 80.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.575 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 48.0 t -62.05 -47.14 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.15 -30.41 64.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.7 tttm -62.19 -55.27 30.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.26 -48.28 36.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.89 -27.83 32.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.43 -21.64 18.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 2.4 tm? -66.88 -21.78 66.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.05 -19.71 1.76 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.464 ' N ' HD21 ' A' ' 70' ' ' LEU . . . -49.63 145.78 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 30.2 t30 -77.86 -41.69 36.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.466 HD13 ' CB ' ' A' ' 53' ' ' HIS . 2.1 tp -120.61 92.01 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.16 143.23 49.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.612 ' O ' ' O ' ' A' ' 33' ' ' GLN . 16.5 t -102.16 124.99 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.786 HD22 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -107.7 117.62 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.61 ' CD1' ' O ' ' A' ' 11' ' ' ILE . 1.6 pp -136.49 112.07 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 37' ' ' ALA . 7.1 p -132.67 131.07 59.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.548 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 1.3 m-20 -139.38 143.84 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 2.1 t70 -56.21 -50.91 69.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.65 144.21 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.57 1.169 . . . . 0.0 110.218 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.463 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 3.3 t -70.64 -42.54 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.7 -36.09 69.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.454 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.474 ' O ' HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -72.28 -57.9 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.998 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.548 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.35 -29.06 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.602 1.188 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.4 tt -72.3 -43.22 64.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.49 -56.61 19.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.506 ' CD1' ' CD1' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -55.91 -50.69 70.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.82 -31.0 76.68 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.552 1.158 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 18.0 t70 -74.71 -48.56 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 0.728 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.83 -43.0 80.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.693 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 7.0 mp -72.68 -27.76 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.545 ' HA ' ' HE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -56.15 -49.82 72.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.1 mt-30 -66.03 -12.75 57.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -101.57 -19.97 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 60.87 37.39 93.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.697 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -21.52 -93.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 110.971 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.66 -57.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.612 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.01 129.27 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.681 HG22 ' CE2' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -93.66 111.1 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.786 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.08 115.27 21.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 11' ' ' ILE . . . -124.96 143.33 50.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -151.28 130.36 12.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.62 -89.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -147.12 -173.34 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -38.32 -46.26 1.94 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.494 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 16.5 mt-10 -66.24 -55.46 16.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.534 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -60.02 -43.8 95.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -70.02 -26.25 74.56 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.475 ' CE ' ' HB3' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -67.1 -50.1 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 0.0 110.989 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -69.82 -32.98 71.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.534 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -71.44 -33.38 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.666 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 1.1 tmm? -79.6 -46.52 17.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.466 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.04 -41.54 98.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 1.5 mm100 -51.83 -20.21 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -139.12 -175.32 0.47 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.0 149.96 37.43 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.666 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 25.4 p-80 -164.68 157.34 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.634 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 8' ' ' LYS . 29.6 t-80 -147.4 15.27 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.601 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.53 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -157.17 132.18 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.739 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 45.1 t -133.18 95.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.488 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -113.83 137.01 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 t -144.6 170.06 16.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' OD1' HD13 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -96.29 -173.34 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -114.91 17.47 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' C ' ' CG ' ' A' ' 61' ' ' MET . 0.4 OUTLIER -59.08 -81.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.666 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -157.85 49.28 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.951 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.666 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -74.97 136.42 20.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.494 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 15.1 mmtt -75.83 -19.55 58.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.486 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 1.2 tpt -135.49 81.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 68' ' ' GLY . 28.3 t0 -77.16 173.97 11.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.27 -60.18 0.6 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 70' ' ' LEU . 2.5 mt -56.83 -45.12 82.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 0.78 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.64 -42.24 66.86 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.491 HD23 ' CE ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -63.76 -44.8 92.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 0.807 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.555 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -56.07 -41.62 75.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.448 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.0 mt-30 -63.49 -35.59 80.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.475 ' HB3' ' CE ' ' A' ' 44' ' ' MET . . . -71.02 -45.41 63.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.23 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.654 HG21 ' N ' ' A' ' 74' ' ' ARG . 1.4 m -56.02 -36.58 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.654 ' N ' HG21 ' A' ' 73' ' ' VAL . 17.2 mtp85 -60.38 -17.65 45.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.36 -22.73 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -133.38 114.32 13.47 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.424 1.077 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.488 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.04 -6.3 17.86 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.418 1.746 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.38 -26.76 63.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.512 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 14.2 t -111.26 6.9 20.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.488 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.66 -14.15 60.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.5 8.66 39.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.609 ' HB1' ' CD2' ' A' ' 52' ' ' HIS . . . -100.77 125.99 47.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.61 121.12 31.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.739 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.07 149.12 22.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.557 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -121.35 136.37 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.598 1.186 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -134.62 111.43 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.565 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.77 129.96 41.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.2 OUTLIER -152.13 163.58 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 38.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.247 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.474 ' H ' ' C ' ' A' ' 88' ' ' THR . 2.5 mp0 -124.88 -60.2 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.51 72.39 0.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.41 118.68 26.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -55.25 -22.31 17.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.42 -48.54 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -35.68 78.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.573 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 54.1 t -62.03 -47.14 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.563 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -72.22 -30.21 64.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.0 ttmt -62.2 -54.76 36.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.92 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.27 -27.67 36.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.17 -23.24 17.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 25.0 tp -65.34 -22.59 66.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.78 -19.29 2.0 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.466 ' N ' HD23 ' A' ' 70' ' ' LEU . . . -49.26 144.32 5.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 31.3 t30 -77.45 -40.2 44.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 83' ' ' ALA . 2.9 t-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.434 HD13 ' CB ' ' A' ' 53' ' ' HIS . 3.1 tp -124.01 91.59 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.718 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -123.54 139.55 53.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.605 ' O ' ' O ' ' A' ' 33' ' ' GLN . 8.9 t -102.4 128.49 55.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.749 HD23 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -110.27 117.33 33.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.533 ' N ' HD23 ' A' ' 10' ' ' LEU . 1.5 pp -135.23 110.31 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.367 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.6 p -132.82 129.45 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.567 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 2.2 m-20 -138.97 143.78 38.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.525 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.4 t70 -53.48 -50.8 64.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.28 143.55 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.7 t -69.99 -41.95 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -35.83 70.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.452 ' O ' HD22 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -72.67 -57.46 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.567 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.67 -29.18 70.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -71.8 -43.77 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.23 -57.03 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -55.8 -49.22 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.82 -29.11 73.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' LEU . 63.0 t0 -76.45 -48.04 21.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.797 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.29 81.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.67 -26.49 62.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.619 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.85 -48.85 79.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.6 -13.08 38.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 110.337 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.35 -12.95 25.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.618 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.86 34.12 81.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.08 -103.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 0.738 . . . . 0.0 110.913 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -163.37 -54.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.64 124.33 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.168 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.706 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.4 112.19 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.749 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.27 116.45 23.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.28 140.58 52.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.59 130.38 14.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.05 -89.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.3 -171.1 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.499 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.98 -44.67 4.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.44 1.088 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.7 mt-10 -66.93 -55.1 16.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.532 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.68 -43.76 93.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 47' ' ' MET . . . -71.93 -24.19 76.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.429 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 7.3 tpt -67.85 -50.99 53.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -69.69 -39.92 76.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.64 -32.8 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.679 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 29.3 ttp -78.61 -46.64 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.72 92.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 11.6 mm-40 -52.46 -19.72 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.635 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.3 -174.59 0.41 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.635 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.07 149.74 36.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.873 ' HE2' ' CB ' ' A' ' 79' ' ' THR . 56.1 p-80 -166.81 155.48 10.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 109.531 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.718 ' N ' ' O ' ' A' ' 8' ' ' LYS . 82.1 t60 -146.31 12.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.549 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -156.47 136.21 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.779 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 24.3 t -133.57 96.53 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.511 ' HB ' ' CG2' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -114.78 135.33 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.229 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.32 171.04 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.95 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 0.3 OUTLIER -100.37 -174.07 2.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -114.41 15.46 17.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.525 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -57.36 -81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 109.25 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.664 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 2.6 ptm -159.46 49.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.664 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -75.0 139.9 24.81 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.548 1.815 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.472 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 10.0 mmtm -75.59 -19.54 59.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.499 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -139.71 85.39 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' GLY . 25.0 t0 -76.39 174.74 9.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.76 -60.48 0.4 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.406 HD21 ' N ' ' A' ' 67' ' ' LEU . 1.5 mt -56.29 -45.73 80.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.77 -42.9 69.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.495 ' CG ' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -65.43 -40.03 92.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.253 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.601 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -58.11 -45.44 87.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.456 ' N ' HD13 ' A' ' 70' ' ' LEU . 20.7 mt-30 -61.34 -35.81 78.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.58 -45.06 73.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.7 HG22 ' N ' ' A' ' 74' ' ' ARG . 2.1 m -56.03 -36.55 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.7 ' N ' HG22 ' A' ' 73' ' ' VAL . 4.5 mtm180 -59.66 -19.99 53.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.13 -25.44 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -125.64 114.11 25.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.237 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.48 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -75.02 -6.09 17.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.443 1.759 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.39 -33.05 62.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.873 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . 5.1 t -104.25 6.73 35.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.063 . . . . 0.0 110.389 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.45 -16.4 61.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.39 8.49 40.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.598 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.17 126.62 42.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.22 122.68 32.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.779 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.37 148.05 24.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.618 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -117.75 136.42 54.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 tt -132.2 111.59 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.563 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.86 129.09 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.461 ' C ' ' H ' ' A' ' 90' ' ' GLN . 2.6 t -151.75 162.61 40.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.84 38.24 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.461 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.42 -59.1 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.172 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.0 70.15 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.26 116.96 23.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -56.14 -24.38 40.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.61 81.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.96 -35.87 79.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.568 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 55.0 t -61.85 -47.28 93.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.564 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 7.6 tt0 -72.1 -29.96 64.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.6 tptt -61.05 -55.83 28.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.404 ' O ' ' HB1' ' A' ' 104' ' ' ALA . . . -74.07 -48.52 29.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.16 -27.96 23.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.71 -21.29 17.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.244 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.7 tp -65.6 -22.43 66.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.86 -21.53 1.14 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.474 ' N ' HD22 ' A' ' 70' ' ' LEU . . . -48.51 152.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 32.5 t30 -82.09 -50.52 8.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.44 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 2.0 m120 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.45 ' CG2' ' HG2' ' A' ' 32' ' ' LYS . 2.7 tp -125.45 93.18 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.684 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -124.29 142.21 51.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.619 ' O ' ' O ' ' A' ' 33' ' ' GLN . 10.2 t -104.54 128.56 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -109.86 117.41 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.577 ' CD1' ' O ' ' A' ' 11' ' ' ILE . 1.6 pp -134.87 111.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.2 p -133.05 127.36 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.507 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 2.0 m-20 -139.46 142.78 37.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.555 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.3 t0 -56.02 -47.8 77.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -86.92 139.9 30.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 20' ' ' LEU . 3.0 t -69.92 -41.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -36.01 70.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.362 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.17 -56.97 4.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.558 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.64 -28.45 69.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.345 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -73.33 -45.61 54.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.9 mt -59.8 -56.06 26.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' A' ' 19' ' ' ARG . 2.3 pp -56.38 -48.79 76.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.62 -29.62 75.2 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' LEU . 26.2 t0 -76.08 -48.02 22.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.09 82.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.398 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.31 -26.43 62.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.606 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -61.02 -49.02 79.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -13.24 56.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.91 -13.26 27.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.43 31.42 76.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.733 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -18.97 -102.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 111.017 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HG2' ' CG2' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -162.92 -55.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.619 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -159.09 125.33 4.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.728 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.66 112.11 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.764 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -123.35 116.17 22.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 11' ' ' ILE . . . -124.45 140.59 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 109.222 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.12 130.68 14.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.78 -90.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.565 1.165 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -146.08 -171.93 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.46 -44.97 3.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.3 mt-10 -66.38 -55.45 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.527 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -60.42 -45.11 94.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.248 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -68.9 -25.89 75.0 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.486 1.116 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.5 tpt -68.17 -50.71 52.66 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.467 0.745 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' CG ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.89 -30.9 67.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -72.52 -35.51 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.657 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -77.93 -46.11 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.78 -42.79 99.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 6.4 mm-40 -53.96 -19.2 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.631 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.22 -174.86 0.43 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.631 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 152.57 40.96 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.768 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.657 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 17.1 p-80 -171.91 158.79 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.684 ' N ' ' O ' ' A' ' 8' ' ' LYS . 74.5 t60 -147.45 14.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.533 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.508 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -156.13 133.23 10.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.785 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 27.4 t -132.42 94.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.524 ' HB ' ' CG2' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -117.18 138.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.39 171.25 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.499 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -93.69 -172.9 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.573 ' CD2' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -117.71 17.03 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.555 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -57.48 -80.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.688 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 mtt -156.63 48.14 0.33 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.688 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.07 137.73 21.93 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 8.0 mmtt -76.68 -19.74 57.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.483 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -135.0 81.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLY . 24.9 t0 -76.0 173.1 11.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -33.5 -57.71 0.57 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.44 -45.78 87.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.24 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.3 -44.53 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.538 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 1.5 mt -62.94 -39.09 93.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.556 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -60.32 -48.84 80.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.79 -35.67 68.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.0 -46.11 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.695 HG22 ' N ' ' A' ' 74' ' ' ARG . 2.2 m -56.15 -36.08 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.695 ' N ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -61.16 -19.62 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.259 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.16 -22.03 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -130.67 112.9 16.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.472 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -74.96 -5.8 17.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.786 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.89 -33.62 66.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.516 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 13.2 t -102.74 6.84 39.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -76.08 -7.45 54.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 8.53 29.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.631 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.62 128.7 50.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.508 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.68 121.01 31.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.785 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.34 149.87 21.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -122.57 134.93 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.456 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -131.22 113.13 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.352 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.573 HD11 ' CD2' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -93.7 130.75 39.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 90' ' ' GLN . 1.2 t -151.25 161.92 41.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.8 38.27 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.0 OUTLIER -126.14 -59.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.96 72.22 0.41 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.07 122.08 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 94' ' ' ALA . 8.3 ptt180 -55.11 -26.54 38.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 93' ' ' ARG . . . -60.41 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -35.94 81.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.579 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 61.4 t -61.29 -47.87 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -71.71 -29.95 65.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -61.53 -55.93 25.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.83 -47.92 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.7 -27.51 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.24 -21.07 17.48 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.431 1.082 . . . . 0.0 109.246 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 36.3 tp -66.39 -22.56 66.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.0 -19.15 1.59 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.454 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . . . -54.23 146.21 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.407 0.71 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 18.2 t30 -80.66 -37.14 31.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.468 HD11 ' CB ' ' A' ' 53' ' ' HIS . 2.0 tp -117.98 91.23 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.598 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.03 142.58 49.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.583 ' HB ' ' O ' ' A' ' 33' ' ' GLN . 3.3 t -101.26 127.31 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.771 HD22 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -110.07 117.83 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.53 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 1.5 pp -136.61 111.06 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 37' ' ' ALA . 7.5 p -132.59 130.84 59.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.564 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 2.8 m-20 -140.05 144.29 36.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CB ' ' CG ' ' A' ' 60' ' ' ASN . 3.8 t70 -58.56 -32.53 68.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -103.06 140.37 37.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.564 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.6 t -71.09 -41.32 76.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.41 -37.02 72.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.462 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.507 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.2 m -71.79 -57.26 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.944 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.564 ' CG ' ' HA ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -62.04 -30.57 71.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -71.04 -44.19 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.61 -57.06 12.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.525 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 1.9 pp -57.0 -47.36 81.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -66.05 -30.31 76.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 20' ' ' LEU . 7.8 t0 -73.49 -48.41 33.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.59 -44.78 81.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -72.01 -25.97 62.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.587 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -61.2 -49.8 75.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.501 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -64.03 -12.39 37.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.444 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -96.43 -14.03 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.588 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 67.17 31.27 77.1 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.745 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -19.73 -101.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.771 . . . . 0.0 110.962 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -162.4 -56.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.583 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -158.91 126.99 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.731 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -95.76 112.47 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.771 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -122.65 117.04 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 11' ' ' ILE . . . -124.87 140.9 52.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.99 130.54 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.06 -90.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -145.91 -171.97 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -40.77 -43.82 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 63' ' ' LYS . 4.9 mm-40 -67.15 -55.46 14.08 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.505 0.768 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.483 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -60.34 -45.11 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -69.92 -25.12 75.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.429 1.081 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.447 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 5.1 tpt -68.41 -49.73 57.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.52 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 2.0 ptmt -70.87 -32.56 69.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.52 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 1.2 mp -72.49 -33.18 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -79.38 -46.97 16.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.28 99.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 4.8 mm-40 -51.53 -19.95 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -138.16 -175.36 0.47 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.01 149.53 36.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.654 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 23.3 p-80 -165.21 157.14 15.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.592 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.598 ' N ' ' O ' ' A' ' 8' ' ' LYS . 41.6 t-80 -146.9 15.36 1.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.508 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -156.55 133.16 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.75 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 22.7 t -134.13 94.18 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.515 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -113.74 136.67 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.15 171.37 14.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.465 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -98.16 -173.52 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.481 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -114.03 17.44 17.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 111.051 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.531 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -58.5 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.672 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -160.03 48.76 0.27 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.672 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.03 137.14 21.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' HB2' ' CG ' ' A' ' 41' ' ' GLU . 27.1 mmtt -76.18 -19.66 58.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.44 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -136.96 80.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' GLY . 43.6 t0 -77.62 177.62 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.53 -63.01 0.29 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.405 ' O ' HD11 ' A' ' 70' ' ' LEU . 2.3 mt -57.68 -45.34 85.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 0.719 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -49.66 -46.83 38.43 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.593 1.183 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.494 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -64.34 -40.21 95.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.602 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -57.31 -45.36 84.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.437 ' N ' HD12 ' A' ' 70' ' ' LEU . 8.8 mt-30 -61.82 -35.91 79.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.67 -45.02 72.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.705 HG23 ' N ' ' A' ' 74' ' ' ARG . 2.0 m -55.56 -36.96 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.705 ' N ' HG23 ' A' ' 73' ' ' VAL . 7.5 mtm180 -59.42 -19.16 45.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.67 -23.51 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -131.74 113.75 15.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.497 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.0 -4.32 15.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.42 1.748 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.5 -30.76 64.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.514 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 15.0 t -106.17 7.15 31.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.51 -16.49 60.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.64 8.64 43.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' A' ' 52' ' ' HIS . . . -100.65 126.32 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.66 121.24 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.75 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.51 150.09 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 111.048 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.561 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -122.04 136.27 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.3 tt -133.46 113.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.543 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.3 129.3 42.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.471 ' C ' ' H ' ' A' ' 90' ' ' GLN . 1.2 t -151.28 161.8 42.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.79 38.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.173 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -124.51 -59.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.09 71.81 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.61 111.14 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -55.41 -24.48 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.89 -48.64 79.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -35.13 78.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.582 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.3 t -61.42 -47.71 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -71.88 -30.97 65.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 3.6 ttmm -63.26 -54.91 29.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 104' ' ' ALA . . . -72.53 -49.16 34.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.17 -28.89 28.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -92.06 -24.13 19.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 1.4 tt -66.35 -20.97 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.9 -25.1 0.92 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 100' ' ' ALA . . . -48.73 140.95 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -79.67 -37.07 36.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.401 HD13 ' CB ' ' A' ' 53' ' ' HIS . 3.4 tp -124.95 92.73 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.674 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.64 141.09 52.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.574 ' O ' ' O ' ' A' ' 33' ' ' GLN . 4.7 t -103.41 128.89 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -110.23 117.38 33.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 11' ' ' ILE . 1.2 pp -135.15 110.41 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 37' ' ' ALA . 13.8 p -133.56 130.62 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.568 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 2.9 m-20 -138.99 143.97 38.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.535 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.3 t70 -56.46 -34.51 66.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.16 141.65 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.552 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.8 t -70.02 -41.25 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.73 -36.35 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.497 ' C ' HD22 ' A' ' 22' ' ' LEU . 1.4 m -72.11 -57.58 4.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.956 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.568 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -61.96 -30.23 70.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 3.6 tt -71.55 -43.71 65.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.4 mt -63.32 -56.82 13.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.517 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 1.7 pp -58.24 -49.08 78.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -63.84 -30.54 78.01 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 6.9 t70 -74.41 -46.92 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.77 81.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.21 -25.47 61.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.584 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -60.63 -50.29 74.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -61.76 -13.0 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -96.39 -14.56 22.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.98 34.31 81.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.723 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.04 -103.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 111.019 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -162.92 -54.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.574 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.07 124.69 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.723 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.97 112.57 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.759 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -122.36 117.38 25.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 110.387 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.06 139.67 53.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.61 130.03 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.69 -89.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.555 1.159 . . . . 0.0 111.051 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.02 -171.87 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.18 -43.77 3.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.482 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 13.7 mt-10 -67.87 -55.6 12.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 0.792 . . . . 0.0 110.248 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.528 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -59.65 -42.76 93.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 47' ' ' MET . . . -72.23 -24.27 76.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.418 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 6.7 tpt -68.71 -49.97 54.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' CG ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.81 -40.66 75.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.528 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.75 -33.15 61.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.685 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 33.2 ttp -77.94 -46.49 21.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.73 91.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.7 mm-40 -50.71 -19.97 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.646 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.05 -173.93 0.38 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.646 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.12 150.39 37.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.88 ' HE2' ' CB ' ' A' ' 79' ' ' THR . 56.1 p-80 -168.64 155.01 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.674 ' N ' ' O ' ' A' ' 8' ' ' LYS . 65.0 t60 -146.41 12.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.589 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.518 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -154.62 134.41 12.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.78 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 23.2 t -132.38 96.18 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.47 HD13 ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -116.08 136.09 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -143.86 170.88 15.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -96.99 -173.16 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.482 ' CE2' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -115.68 17.36 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.535 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -59.23 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.684 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 6.5 mtt -156.67 48.1 0.32 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.96 138.01 22.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.482 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 27.9 mmtt -75.95 -21.16 57.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.443 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -134.57 80.8 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.581 1.176 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 68' ' ' GLY . 29.4 t0 -77.32 176.2 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' HA2' ' CD1' ' A' ' 69' ' ' LEU . . . -31.72 -61.91 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' O ' HD12 ' A' ' 70' ' ' LEU . 2.3 mt -57.12 -45.04 83.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -56.52 -41.69 89.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.525 ' CD1' HG13 ' A' ' 55' ' ' VAL . 1.2 mt -63.1 -41.26 99.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.585 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.17 -44.88 92.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.415 ' N ' HD13 ' A' ' 70' ' ' LEU . 80.4 mt-30 -59.47 -34.18 72.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.38 72.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.675 HG23 ' N ' ' A' ' 74' ' ' ARG . 2.5 m -55.85 -36.57 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.675 ' N ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -60.7 -20.67 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.28 -21.5 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -130.16 110.92 16.81 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.569 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.02 -5.0 16.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.29 -30.81 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.88 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . 13.9 t -104.39 8.32 35.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -63.26 -22.8 67.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.02 8.2 41.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -92.19 122.43 34.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.518 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -90.21 121.63 32.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.78 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.95 150.6 21.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.564 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -122.41 134.79 64.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.368 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.442 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -131.16 113.59 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.57 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.07 129.32 42.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER -151.51 161.4 42.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.434 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.7 38.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.18 -58.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.17 71.33 0.5 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.562 1.164 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.86 119.18 27.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.42 -24.97 33.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.56 81.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.57 -35.29 78.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.576 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.2 t -61.36 -47.73 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.3 -30.77 65.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -59.96 -55.71 30.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.35 -48.47 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.27 -28.05 25.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.571 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.96 -22.57 17.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 3.4 tm? -66.18 -21.18 66.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.43 ' C ' HD21 ' A' ' 70' ' ' LEU . . . 148.25 -25.01 1.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.054 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.405 ' N ' HD21 ' A' ' 70' ' ' LEU . . . -48.72 152.85 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 20.3 t30 -86.99 -39.78 15.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 tp -125.69 93.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.71 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -123.63 142.08 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.583 ' O ' ' O ' ' A' ' 33' ' ' GLN . 6.1 t -104.13 127.75 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.208 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.763 HD21 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -110.07 117.12 32.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.532 ' N ' HD21 ' A' ' 10' ' ' LEU . 1.3 pp -135.62 110.29 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 37' ' ' ALA . 9.2 p -132.07 130.5 61.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.587 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 2.4 m-20 -139.27 143.71 38.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.553 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 6.2 t0 -54.16 -48.36 70.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -89.55 143.95 26.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' LEU . 2.9 t -70.62 -42.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -35.91 72.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.479 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 1.4 m -71.14 -57.36 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.094 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.587 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -63.91 -28.84 70.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.99 -44.17 63.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.22 -57.25 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.519 ' CD2' ' OD2' ' A' ' 13' ' ' ASP . 0.8 OUTLIER -56.84 -49.44 75.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -63.13 -30.43 77.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' LEU . 9.3 t70 -74.97 -47.46 29.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.22 83.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.47 -26.39 62.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.577 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -60.72 -50.2 74.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 110.228 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.505 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -62.13 -12.72 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.352 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.52 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -96.88 -14.43 21.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.622 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.54 34.35 83.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.712 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.24 -103.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -163.35 -53.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.583 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.6 124.41 4.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.712 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.32 112.77 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.763 ' O ' HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.55 116.77 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.37 140.62 52.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.377 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.28 130.91 14.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.08 -90.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -145.93 -171.89 3.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.59 -44.38 3.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 11.6 mt-10 -66.94 -55.66 13.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.536 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -60.29 -44.89 94.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -68.96 -26.07 74.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.496 ' SD ' ' CB ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -68.49 -52.39 32.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.773 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -67.99 -32.88 73.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -71.88 -34.42 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.645 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -78.06 -46.65 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.412 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -63.13 -42.16 99.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 24.9 mm-40 -54.37 -19.41 5.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.06 -174.69 0.42 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.07 152.44 40.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.645 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 15.7 p-80 -171.92 158.15 4.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 109.552 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.71 ' N ' ' O ' ' A' ' 8' ' ' LYS . 39.4 t-80 -146.76 13.99 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.612 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -155.98 133.94 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.771 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 22.5 t -132.39 94.64 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.487 ' CD1' HG21 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -114.23 138.08 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.5 t -144.29 170.99 14.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -97.15 -172.38 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.449 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -117.76 17.15 14.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.553 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -59.96 -80.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.689 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 5.6 mtt -156.44 47.98 0.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -74.99 136.83 20.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.481 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 15.8 mmtt -76.31 -20.11 57.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.376 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.467 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -134.31 81.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLY . 24.2 t0 -76.49 173.14 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -33.04 -58.49 0.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.2 mt -58.04 -45.29 87.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.97 -43.5 87.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.5 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 1.5 mt -64.5 -39.34 93.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.559 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -60.47 -48.84 80.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -57.23 -35.97 70.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.496 ' CB ' ' SD ' ' A' ' 44' ' ' MET . . . -67.16 -46.09 75.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.698 HG22 ' N ' ' A' ' 74' ' ' ARG . 2.2 m -56.06 -36.4 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.226 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.698 ' N ' HG22 ' A' ' 73' ' ' VAL . 7.8 mtt180 -60.71 -20.77 61.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.25 -21.94 14.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -129.6 112.74 17.81 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.478 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -74.99 -5.49 16.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.549 1.815 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.32 -34.75 65.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.54 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 13.3 t -101.48 6.12 42.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.347 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.49 -8.81 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.85 7.8 30.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.62 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.49 127.79 49.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.41 120.69 30.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.771 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.17 148.59 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -120.72 136.09 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -133.82 111.66 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.557 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.56 129.94 42.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.47 ' C ' ' H ' ' A' ' 90' ' ' GLN . 3.8 t -151.88 161.82 42.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 110.464 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.4 39.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.47 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -126.04 -60.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.86 74.65 0.2 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.72 120.9 30.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -26.13 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.96 83.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.77 -35.75 79.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 58.8 t -61.12 -47.54 93.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 2.8 tt0 -72.03 -30.75 65.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.249 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -62.07 -55.08 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.39 -48.46 33.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.275 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.8 -27.82 31.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.3 -21.39 17.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 3.2 tm? -66.82 -22.22 66.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.56 -17.57 2.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.479 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . . . -53.89 144.45 18.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 14.8 t30 -81.18 -35.87 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.499 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.411 ' CD1' ' CG ' ' A' ' 53' ' ' HIS . 2.6 tp -109.64 90.41 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.97 143.9 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.625 ' HB ' ' O ' ' A' ' 33' ' ' GLN . 11.4 t -102.52 125.43 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.735 HD21 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -109.09 116.06 31.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.508 ' N ' HD21 ' A' ' 10' ' ' LEU . 5.4 pt -136.08 110.32 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.34 132.5 62.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.561 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 1.7 m-20 -139.41 143.7 37.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.518 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -55.13 -50.7 68.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -85.69 142.94 28.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.537 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 t -69.65 -40.97 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -34.78 67.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.399 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.505 ' C ' HD21 ' A' ' 22' ' ' LEU . 1.4 m -73.42 -57.82 3.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.561 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -61.42 -30.69 70.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -71.33 -44.16 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.95 -57.4 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.505 HD21 ' C ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -55.75 -49.79 72.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.55 -29.92 75.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' LEU . 29.8 t0 -76.72 -48.63 18.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.1 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -71.32 -27.29 63.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 1.7 mm-40 -60.25 -47.77 84.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.275 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -13.1 62.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.526 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -92.68 -11.87 32.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.589 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 64.21 27.56 71.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.013 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.773 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -18.67 -99.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -161.04 -56.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.625 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.54 128.44 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.727 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -92.17 111.32 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.735 ' O ' HD21 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -125.16 114.58 19.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.28 142.54 51.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -150.5 130.72 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.97 -89.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -146.26 -172.11 3.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.5 -44.58 3.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.489 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 12.0 mt-10 -67.64 -55.49 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -59.41 -42.74 92.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.487 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -71.98 -24.41 76.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.505 ' HG2' ' CE ' ' A' ' 64' ' ' MET . 2.9 tpt -68.69 -47.78 65.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -70.61 -38.84 74.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -67.53 -34.07 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.687 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -78.96 -45.21 20.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 0.0 110.959 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.14 95.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 2.7 mm100 -52.76 -19.79 2.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.25 -175.24 0.46 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.98 150.86 38.9 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 1.057 ' NE2' ' HG1' ' A' ' 79' ' ' THR . 45.6 p-80 -165.49 156.61 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.626 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.651 ' N ' ' O ' ' A' ' 8' ' ' LYS . 44.0 t-80 -146.95 13.62 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -157.05 133.96 10.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.763 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 40.0 t -133.99 95.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.476 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.65 136.4 51.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -143.62 170.89 14.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.03 -173.8 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.446 ' CD2' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -114.17 17.79 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.518 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -59.17 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.68 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 2.2 mtm -157.47 48.77 0.33 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.06 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.68 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.01 138.88 23.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.431 1.753 . . . . 0.0 110.962 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.489 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 42.4 mmtt -77.02 -20.25 56.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.231 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.505 ' CE ' ' HG2' ' A' ' 44' ' ' MET . 0.1 OUTLIER -137.65 85.84 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 111.055 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 68' ' ' GLY . 28.8 t0 -78.39 175.57 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.83 -59.77 0.69 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.55 -44.33 80.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.358 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.21 -42.72 63.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.499 HD11 ' CG1' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -64.49 -41.93 96.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 109.268 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.582 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -57.25 -45.43 83.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.447 ' N ' HD12 ' A' ' 70' ' ' LEU . 4.5 mt-30 -61.33 -35.64 77.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.37 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.479 ' CB ' ' CE ' ' A' ' 64' ' ' MET . . . -68.92 -44.56 72.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.7 HG23 ' N ' ' A' ' 74' ' ' ARG . 2.0 m -55.75 -36.66 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.7 ' N ' HG23 ' A' ' 73' ' ' VAL . 9.9 mtp85 -60.16 -19.16 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.339 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.8 -20.79 13.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.624 1.203 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -133.06 112.87 13.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.372 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.497 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -4.93 16.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.557 1.82 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.88 66.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 1.057 ' HG1' ' NE2' ' A' ' 52' ' ' HIS . 13.4 t -106.16 7.66 31.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.9 -12.52 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 7.77 29.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' CD2' ' A' ' 52' ' ' HIS . . . -98.81 125.5 44.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.78 121.03 31.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.763 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.44 149.6 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.548 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -121.25 136.22 58.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.46 112.67 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.563 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.82 130.02 41.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -150.9 161.27 43.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.391 1.057 . . . . 0.0 110.405 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.62 38.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.16 -59.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 46.46 74.86 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.77 118.21 24.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -26.3 39.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.31 82.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -36.14 82.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.354 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 53.0 t -61.43 -47.26 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.0 OUTLIER -71.9 -31.53 66.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -61.08 -54.96 38.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.71 -48.08 34.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.613 1.195 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.27 -28.2 40.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.64 -21.63 18.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 12.5 tp -66.96 -22.17 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.13 -21.59 1.75 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.439 ' N ' HD22 ' A' ' 70' ' ' LEU . . . -48.44 143.18 5.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 31.9 t30 -76.52 -38.81 54.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.473 ' CD1' ' CG ' ' A' ' 53' ' ' HIS . 2.6 tp -118.25 91.33 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.71 141.86 50.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.592 ' HB ' ' O ' ' A' ' 33' ' ' GLN . 9.9 t -101.42 125.94 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.71 HD23 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -108.76 116.67 32.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.553 ' O ' HG13 ' A' ' 11' ' ' ILE . 9.7 pt -136.6 110.15 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 37' ' ' ALA . 12.5 p -132.55 130.1 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.526 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -138.62 141.4 39.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.553 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 6.6 t0 -50.85 -50.84 55.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.66 143.32 27.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' LEU . 2.6 t -70.06 -42.95 79.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -34.97 68.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.495 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.2 m -72.18 -57.2 4.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.526 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -63.99 -28.69 69.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -73.11 -43.44 61.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.13 -57.29 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -56.17 -49.51 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.489 ' HA2' ' CD1' ' A' ' 11' ' ' ILE . . . -63.51 -30.34 77.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.118 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' LEU . 63.5 t0 -74.8 -48.04 27.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.8 81.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.77 -25.87 62.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.57 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.27 -50.46 73.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.511 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -62.11 -12.57 20.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.99 -14.62 20.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.61 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.64 34.7 84.41 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.733 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.97 -103.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.422 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 15.9 tptt -162.29 -55.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.592 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.1 125.37 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.733 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.2 pt -94.96 111.83 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.71 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -122.87 116.27 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.58 140.78 52.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.87 129.53 13.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 35.09 -88.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.93 -171.67 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -42.28 -39.44 3.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.418 1.074 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 2.0 tt0 -69.5 -58.02 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.528 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.57 -43.04 93.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -71.59 -25.3 75.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 7.2 tpt -68.64 -48.36 64.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -71.62 -39.46 70.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.528 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -64.93 -34.45 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.688 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -79.14 -45.06 20.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 111.0 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.62 95.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 6.2 mm-40 -54.48 -19.4 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.632 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.69 -175.2 0.46 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.06 149.18 36.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.688 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 46.9 p-80 -164.99 158.33 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.621 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.633 ' N ' ' O ' ' A' ' 8' ' ' LYS . 58.3 t-80 -146.19 14.24 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.564 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -157.85 133.76 9.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.759 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 23.0 t -133.74 94.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.484 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.1 138.75 42.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.6 169.89 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -96.97 -172.47 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.474 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -117.71 17.11 14.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.553 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -60.6 -80.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.698 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 3.1 mtp -156.47 47.28 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.698 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -75.11 137.06 20.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . 3.6 mmtp -76.95 -19.88 56.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -134.24 80.12 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 68' ' ' GLY . 26.3 t0 -76.85 173.96 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.24 -60.03 0.37 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.4 mt -58.12 -46.69 85.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -52.96 -45.88 61.42 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.546 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 1.3 mt -63.24 -39.03 93.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.546 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -61.19 -48.76 80.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.373 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -56.6 -35.2 67.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.63 74.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.697 HG23 ' N ' ' A' ' 74' ' ' ARG . 2.3 m -56.39 -36.4 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.697 ' N ' HG23 ' A' ' 73' ' ' VAL . 10.4 mtm180 -61.0 -17.31 51.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.7 -21.87 13.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -133.24 113.47 13.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.6 Cg_endo -74.97 -5.74 17.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.61 -26.6 64.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.514 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 10.5 t -111.08 6.14 20.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.475 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.96 -12.33 60.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 7.76 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.606 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.38 127.74 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.62 121.73 32.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.759 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.31 149.17 22.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.53 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -120.53 135.96 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -133.58 111.55 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.542 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.09 130.81 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER -151.01 161.62 42.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.08 38.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.06 -58.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.377 1.048 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.9 71.4 0.57 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.73 114.24 18.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -25.16 35.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.71 80.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -35.83 78.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.583 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 60.3 t -61.08 -47.7 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -72.02 -31.28 66.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.36 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 5.6 ttmm -61.11 -55.28 34.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.41 ' O ' ' HB1' ' A' ' 104' ' ' ALA . . . -73.55 -49.02 28.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.583 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.13 -28.02 23.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.0 -21.42 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 10.5 tt -67.21 -22.21 65.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.84 -21.69 0.7 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.438 ' HB3' ' HB2' ' A' ' 70' ' ' LEU . . . -54.7 143.36 25.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 80' ' ' LYS . 22.7 t30 -80.53 -36.11 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.422 ' CG2' ' HG2' ' A' ' 32' ' ' LYS . 2.6 tp -123.37 91.36 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.67 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -125.02 138.11 54.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.6 ' O ' ' O ' ' A' ' 33' ' ' GLN . 8.3 t -102.09 127.7 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.758 HD22 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -109.34 117.03 32.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.199 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.53 ' CD1' ' O ' ' A' ' 11' ' ' ILE . 1.5 pp -134.7 109.65 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.4 p -133.26 129.21 56.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.546 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 2.6 m-20 -139.18 143.41 38.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.463 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 3.2 t70 -53.98 -50.32 66.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.12 142.55 28.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 3.3 t -70.32 -43.05 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.07 -36.24 70.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 110.353 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.469 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.3 m -72.39 -57.21 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.546 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.76 -29.21 70.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -72.54 -44.3 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.3 mt -58.55 -57.01 14.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -55.36 -49.94 70.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.06 -29.34 74.07 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' LEU . 15.0 t70 -77.03 -47.85 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.28 82.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.382 1.051 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 29' ' ' LEU . 2.3 mm? -71.22 -26.89 63.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.591 1.182 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.606 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.2 mm-40 -61.17 -48.86 79.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.54 -12.65 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -95.67 -13.41 24.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.623 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 68.31 33.72 78.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.73 -103.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.991 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -163.85 -53.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.6 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.55 124.41 5.03 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.702 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.3 112.44 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.758 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.98 116.31 22.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.36 140.64 52.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -150.9 129.81 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.63 -88.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -148.9 -172.74 4.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 0.801 . . . . 0.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.6 -43.49 2.24 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 4.1 mt-10 -65.67 -56.93 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.725 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.513 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -61.0 -43.87 98.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.226 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 47' ' ' MET . . . -68.48 -25.9 74.61 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -48.93 55.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 0.81 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -70.43 -41.73 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.7 mp -66.8 -32.29 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.692 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 32.3 ttp -79.37 -46.45 17.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.2 93.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.3 mm100 -52.13 -19.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.637 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.48 -174.56 0.41 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.637 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.09 149.6 36.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.692 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 49.7 p-80 -166.18 155.76 11.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.67 ' N ' ' O ' ' A' ' 8' ' ' LYS . 9.1 t60 -147.45 12.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.537 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.553 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -156.31 135.82 12.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.757 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 26.2 t -133.68 97.14 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.513 ' HB ' ' CG2' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -115.46 133.46 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 t -142.71 170.16 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.428 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -97.23 -174.3 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.536 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -113.2 17.59 18.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.463 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -58.55 -81.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.676 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 16.9 ptm -159.24 48.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.676 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.02 137.58 21.85 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.434 1.755 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 37.9 mmtt -76.81 -19.71 57.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.484 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.9 OUTLIER -135.49 83.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.0 t70 -78.37 172.9 12.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' HA3' ' CG2' ' A' ' 86' ' ' ILE . . . -35.54 -57.9 0.92 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' O ' HD13 ' A' ' 70' ' ' LEU . 2.5 mt -57.25 -43.83 83.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 0.741 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.73 -40.82 72.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.502 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -64.93 -42.14 94.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.586 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -56.81 -44.59 82.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.443 ' N ' HD11 ' A' ' 70' ' ' LEU . 9.8 mt-30 -62.82 -35.58 80.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.22 -44.94 71.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.692 HG22 ' N ' ' A' ' 74' ' ' ARG . 1.8 m -55.86 -36.87 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.077 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.692 ' N ' HG22 ' A' ' 73' ' ' VAL . 15.7 mtm180 -59.93 -18.49 45.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.51 -21.71 13.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -133.7 113.38 12.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.99 -5.57 16.96 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.64 -25.21 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.508 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . 11.7 t -113.9 6.44 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -70.57 -13.34 62.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 8.14 30.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.99 124.99 42.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.553 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.62 121.16 31.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.757 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.57 148.65 23.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.611 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -119.1 137.32 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.441 ' CG2' ' HA3' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -132.69 113.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.579 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.59 128.74 41.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.462 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.6 OUTLIER -152.83 161.98 41.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.148 . . . . 0.0 110.374 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.49 38.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.37 -59.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 43.18 74.04 0.21 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.9 124.53 39.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -55.13 -26.84 41.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.61 80.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -35.56 81.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.577 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 62.0 t -60.75 -47.84 91.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.27 -29.73 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 24.4 ttmt -61.11 -56.38 21.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.58 -47.92 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.52 -28.04 29.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -94.88 -22.9 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -65.75 -21.64 66.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.56 -20.13 2.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.412 ' N ' HD23 ' A' ' 70' ' ' LEU . . . -45.6 140.95 3.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 12.7 t30 -70.7 -42.79 70.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 83' ' ' ALA . 1.5 t-20 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.452 ' CG1' ' HG2' ' A' ' 32' ' ' LYS . 2.6 tp -123.49 91.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -125.08 139.97 53.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' A' ' 33' ' ' GLN . 9.1 t -105.2 127.63 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.773 HD21 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -109.95 117.46 33.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.521 ' N ' HD21 ' A' ' 10' ' ' LEU . 1.7 pp -135.44 110.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.3 p -132.43 129.69 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.554 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 1.8 m-20 -139.33 144.02 38.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.54 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.7 t70 -55.28 -51.12 67.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.74 142.83 28.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.349 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.6 t -69.76 -42.11 80.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.1 -35.18 71.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.478 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.69 -56.99 4.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.554 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -63.61 -29.39 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.409 1.068 . . . . 0.0 110.261 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -72.05 -43.62 64.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.73 -56.96 15.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.519 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -55.87 -50.41 70.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.233 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -62.14 -30.97 77.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 12.5 t70 -75.79 -48.11 23.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.72 82.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mp -71.39 -26.59 62.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -59.71 -51.0 71.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.52 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -63.0 -12.44 25.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -98.05 -14.92 20.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.629 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.31 35.98 88.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.723 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.26 -104.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.966 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.452 ' HG2' ' CG1' ' A' ' 7' ' ' ILE . 9.7 tptt -164.3 -53.94 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.633 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 47.1 tp60 -156.42 122.7 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.723 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -95.32 112.55 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.773 ' O ' HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -124.67 116.75 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.09 141.24 52.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.34 130.83 14.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.74 -91.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.02 -172.12 3.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.46 -44.54 2.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 9.4 mt-10 -66.39 -56.11 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.538 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.73 -46.4 90.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -67.18 -25.65 73.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.497 ' SD ' ' CB ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -69.33 -51.82 33.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 2.5 pttt -69.74 -30.45 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -72.9 -36.91 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -76.43 -46.63 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.415 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.37 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.237 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 5.4 mm-40 -52.04 -20.0 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.61 -174.83 0.43 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.1 152.82 40.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.569 1.826 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.652 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 19.0 p-80 -170.82 157.82 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.652 ' N ' ' O ' ' A' ' 8' ' ' LYS . 50.8 t-80 -146.08 14.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.647 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.519 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -156.16 133.0 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.756 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 21.9 t -132.35 94.85 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.438 ' CD1' HD23 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -113.56 137.52 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 t -144.27 170.85 15.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.441 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -99.14 -173.77 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -116.39 16.65 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.54 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -57.92 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.067 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.666 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 3.9 ptm -158.72 49.68 0.34 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.666 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -74.95 138.5 23.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.472 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 18.9 mmtt -76.02 -20.23 57.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.498 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 2.5 tpt -136.23 84.66 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.4 t70 -76.25 172.99 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.75 -56.77 0.79 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.418 1.074 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.42 ' O ' HD13 ' A' ' 70' ' ' LEU . 2.5 mt -56.87 -44.94 82.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -58.15 -39.79 92.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.571 ' CD1' ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -65.3 -45.03 85.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.617 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -58.11 -43.38 87.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.464 ' N ' HD11 ' A' ' 70' ' ' LEU . 3.2 mt-30 -59.87 -36.0 75.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' CB ' ' SD ' ' A' ' 44' ' ' MET . . . -68.54 -45.31 72.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.7 HG21 ' N ' ' A' ' 74' ' ' ARG . 2.1 m -55.58 -36.41 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.7 ' N ' HG21 ' A' ' 73' ' ' VAL . 7.7 mtm180 -59.62 -20.3 54.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.1 -23.32 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -132.42 113.43 14.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.472 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.96 -6.01 17.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.552 1.817 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.54 -30.8 67.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.503 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 15.0 t -105.78 6.93 32.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -77.32 -7.0 55.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.362 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.1 9.02 30.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.587 ' HB1' ' CD2' ' A' ' 52' ' ' HIS . . . -104.68 128.08 52.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.28 122.29 32.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.756 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.86 148.47 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.576 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.79 135.66 60.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.18 112.84 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.564 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -96.42 130.22 43.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.466 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.3 OUTLIER -151.64 161.48 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.88 38.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.466 ' H ' ' C ' ' A' ' 88' ' ' THR . 3.0 mp0 -124.66 -59.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.19 74.39 0.21 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.134 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.31 120.61 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -25.47 37.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.66 80.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -35.76 80.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.581 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 60.9 t -61.39 -47.4 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.566 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 6.6 tt0 -72.02 -30.56 65.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 3.9 ttpp -62.38 -55.16 30.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.3 -48.54 33.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.72 -28.0 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -94.76 -22.43 18.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 102' ' ' LEU . 1.3 tm? -66.4 -21.48 66.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.93 -19.19 2.35 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.447 ' N ' HD22 ' A' ' 70' ' ' LEU . . . -48.96 139.0 10.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 27.4 t30 -74.96 -38.37 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.461 HD11 ' CB ' ' A' ' 53' ' ' HIS . 4.0 tp -121.4 91.34 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.77 141.36 51.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.29 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.611 ' HB ' ' O ' ' A' ' 33' ' ' GLN . 11.9 t -101.83 127.36 55.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.731 HD22 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -109.82 117.18 33.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.532 ' HB ' ' CD1' ' A' ' 22' ' ' LEU . 9.2 pt -136.37 110.95 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.0 p -132.94 130.99 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.572 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 1.2 m-20 -139.37 144.21 38.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.484 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.3 t70 -54.36 -48.1 71.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.14 141.52 28.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.255 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.536 ' HA ' ' HG3' ' A' ' 19' ' ' ARG . 2.5 t -68.82 -40.86 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -34.96 66.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.533 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.3 m -73.05 -57.67 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.572 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.01 -29.55 70.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.332 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -72.81 -44.52 61.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.39 -57.12 13.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -56.76 -50.01 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -62.34 -30.77 77.12 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.438 1.086 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 25.8 t0 -75.45 -47.89 25.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 0.824 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.88 83.12 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.67 -25.93 62.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.554 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -59.82 -50.85 72.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.512 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -61.76 -12.83 18.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 110.335 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -97.42 -14.66 21.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.61 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 66.92 35.18 89.14 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.712 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.32 -103.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.955 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -162.89 -54.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.611 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -157.95 125.33 5.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.712 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.33 111.47 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.731 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.33 116.54 23.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.72 140.35 52.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.62 130.85 14.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.77 -88.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -147.43 -172.01 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 0.793 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.21 -44.19 3.73 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.3 mt-10 -67.48 -55.01 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.489 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.76 -43.43 94.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 47' ' ' MET . . . -72.09 -23.96 77.2 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.594 1.184 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 7.9 tpt -68.2 -50.63 53.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.511 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -68.87 -42.08 77.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.511 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -65.18 -33.07 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.661 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 31.4 ttp -77.88 -46.5 21.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.09 -44.3 92.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.36 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.9 mm100 -50.17 -20.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.639 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.75 -174.55 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.0 150.14 37.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.91 ' HE2' ' CB ' ' A' ' 79' ' ' THR . 55.0 p-80 -165.78 155.55 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.544 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.633 ' N ' ' O ' ' A' ' 8' ' ' LYS . 43.2 t-80 -146.5 13.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.612 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.521 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -156.36 134.69 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.343 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.771 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 21.4 t -133.73 94.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.49 ' HB ' ' CG2' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -113.4 137.43 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.48 170.61 15.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.32 -174.18 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -113.86 16.03 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -57.96 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.667 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -159.29 48.99 0.29 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.04 138.96 23.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 40.8 mmtt -76.09 -19.74 58.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.456 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -135.74 78.88 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' GLY . 46.8 t0 -76.37 175.86 8.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -31.84 -62.16 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 mt -57.61 -45.61 85.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.64 -41.22 73.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.508 ' CD1' HG12 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -65.25 -41.8 93.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.594 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.59 -44.93 93.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' N ' HD11 ' A' ' 70' ' ' LEU . 4.7 mt-30 -60.59 -35.79 76.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.12 73.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.701 HG21 ' N ' ' A' ' 74' ' ' ARG . 2.1 m -55.91 -36.68 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.701 ' N ' HG21 ' A' ' 73' ' ' VAL . 10.0 mtm180 -60.01 -19.14 51.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.9 -22.73 13.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -129.33 113.32 18.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.477 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.2 -35.21 66.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.91 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . 15.3 t -102.16 6.46 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -73.35 -11.72 60.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -107.44 8.09 29.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.24 128.75 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.58 121.73 32.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.771 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.84 148.76 22.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.577 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.78 136.53 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.171 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 tt -134.36 111.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.555 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.61 129.62 42.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.476 ' C ' ' H ' ' A' ' 90' ' ' GLN . 5.7 t -151.92 162.73 40.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.05 38.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 2.7 mp0 -125.34 -60.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.14 72.28 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.558 1.161 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.58 120.79 31.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 0.779 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -55.59 -25.93 41.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.69 80.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -35.51 79.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.6 t -61.29 -47.63 92.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.26 -29.13 63.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 1.3 ttpt -61.86 -55.92 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.04 -47.92 33.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.54 -27.79 27.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.41 -20.56 17.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.0 tp -66.11 -22.52 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.27 -19.17 1.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.45 ' N ' HD22 ' A' ' 70' ' ' LEU . . . -48.18 154.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.733 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 37.9 t30 -85.63 -42.62 14.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.479 ' CG1' ' HG2' ' A' ' 32' ' ' LYS . 3.2 tp -121.97 89.59 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.39 1.056 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -124.8 138.2 54.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.638 ' O ' ' O ' ' A' ' 33' ' ' GLN . 13.7 t -102.46 126.8 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -108.66 116.98 33.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.575 ' HB ' ' CD1' ' A' ' 22' ' ' LEU . 9.3 pt -136.15 111.07 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 37' ' ' ALA . 8.4 p -132.73 132.62 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.501 ' OD2' ' CD2' ' A' ' 22' ' ' LEU . 2.1 m-20 -138.21 145.06 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.534 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.5 t0 -57.5 -33.77 68.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.89 143.9 33.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.191 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.537 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 t -69.81 -41.27 79.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.4 -35.81 68.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.492 ' C ' HD23 ' A' ' 22' ' ' LEU . 1.4 m -72.36 -58.22 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.537 ' CG ' ' HA ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -61.3 -30.41 70.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.3 tt -71.43 -43.33 66.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.72 -57.22 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.575 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -56.78 -49.6 74.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.36 -29.68 75.26 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.471 1.107 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 39.1 t70 -75.86 -47.87 23.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 0.809 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.22 -48.42 81.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.47 -25.96 62.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.623 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.6 mm-40 -61.07 -49.42 77.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -13.09 26.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.63 -13.5 24.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.211 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.618 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 68.66 34.99 79.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.691 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.35 -103.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 111.042 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HG2' ' CG1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -163.91 -53.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.638 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.09 124.33 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.691 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.3 111.0 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.743 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.68 117.07 24.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 0.0 110.414 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.74 140.97 52.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.65 131.13 14.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.81 -89.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.76 -172.46 3.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.33 -44.77 3.12 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.495 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 16.1 mt-10 -67.25 -55.01 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.53 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 1.9 tt0 -59.74 -43.27 94.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 47' ' ' MET . . . -72.44 -23.67 77.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 9.0 tpt -69.0 -48.63 62.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.782 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -70.62 -39.93 73.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.53 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -67.26 -33.42 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.683 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 28.9 ttp -77.62 -46.79 21.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.88 92.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 6.0 mm-40 -51.42 -20.09 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.639 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.03 -174.26 0.4 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.03 149.93 37.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.959 ' HE2' ' CB ' ' A' ' 79' ' ' THR . 56.0 p-80 -166.34 156.48 12.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.587 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.679 ' N ' ' O ' ' A' ' 8' ' ' LYS . 40.0 t-80 -146.91 12.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -156.08 136.16 12.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.792 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 21.3 t -133.66 95.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.524 ' HB ' ' CG2' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -114.61 136.77 50.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.35 170.53 15.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.955 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD1' HD11 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -97.87 -173.46 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -115.21 16.97 16.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.029 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.534 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -59.25 -82.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.677 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 6.4 mtt -156.76 48.54 0.34 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.677 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -75.0 138.15 22.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.445 1.761 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.495 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 29.6 mmtt -76.34 -19.52 58.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 1.9 tpt -135.79 80.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.6 t70 -75.78 173.46 11.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.95 -58.63 0.47 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.7 mt -57.86 -45.71 85.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.63 0.841 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -56.5 -42.52 90.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.553 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 1.5 mt -64.28 -39.88 94.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 0.777 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.571 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -59.74 -48.94 79.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -57.56 -35.37 70.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.6 -45.72 74.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.701 HG23 ' N ' ' A' ' 74' ' ' ARG . 2.2 m -56.01 -36.51 44.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.701 ' N ' HG23 ' A' ' 73' ' ' VAL . 47.7 mtp180 -60.65 -19.9 59.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.66 -21.82 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -128.53 112.83 19.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.493 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -74.93 -4.85 16.03 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.14 66.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.959 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . 15.1 t -101.93 6.51 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -71.78 -12.84 61.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.86 7.74 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.644 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -99.71 128.28 45.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.93 121.61 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.792 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.49 147.41 23.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.579 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -117.64 135.98 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -134.04 110.86 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.574 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.83 129.51 43.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.471 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.7 OUTLIER -152.42 162.14 41.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 38.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 88' ' ' THR . 3.4 mp0 -125.13 -59.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.15 74.48 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.1 123.65 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -55.59 -26.83 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.48 81.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.07 -35.87 81.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.232 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.59 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 60.7 t -61.74 -47.15 94.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.04 -30.48 65.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -62.04 -55.22 31.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.8 -48.24 32.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.66 -27.55 28.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.31 -20.75 17.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 20.0 tp -66.41 -22.31 66.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.94 -16.21 2.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.19 144.84 11.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 35.2 t30 -76.3 -42.12 46.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.475 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.537 HD13 ' CD2' ' A' ' 53' ' ' HIS . 2.0 tp -115.14 92.35 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.228 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.632 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.97 143.11 49.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.643 ' HB ' ' O ' ' A' ' 33' ' ' GLN . 11.6 t -101.78 125.15 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -108.2 116.35 31.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.502 ' N ' HD23 ' A' ' 10' ' ' LEU . 5.8 pt -136.3 110.25 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.8 p -131.8 132.48 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.536 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -139.23 144.16 38.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.548 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 2.4 t70 -54.22 -52.19 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.83 142.91 29.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.224 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.8 t -69.38 -41.59 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -35.01 69.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.482 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 1.1 m -73.46 -57.25 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.92 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.536 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.72 -29.17 70.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.608 1.193 . . . . 0.0 110.33 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -72.37 -44.26 62.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.8 mt -58.63 -56.56 20.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.5 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.08 -49.61 73.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.4 -29.54 73.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 44.7 t0 -76.86 -48.64 17.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 0.725 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.75 -47.42 85.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.65 -27.07 62.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.606 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 1.9 mm-40 -59.69 -47.8 84.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -13.45 62.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -90.84 -11.51 39.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.356 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.585 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 64.06 26.45 70.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.792 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -18.6 -98.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 111.047 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -161.69 -57.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.421 1.076 . . . . 0.0 109.383 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.643 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -158.25 129.33 6.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.712 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -92.49 111.64 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.743 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -125.66 115.0 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.394 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.36 142.9 51.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -150.55 130.71 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.1 -89.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.5 -172.42 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.81 -44.36 2.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 63' ' ' LYS . 28.9 mm-40 -67.09 -55.85 12.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.535 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.5 -44.18 96.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -68.85 -26.06 74.85 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.5 tpt -68.71 -51.38 42.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.603 0.825 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -67.89 -34.46 76.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.535 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -70.4 -34.58 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.682 ' HG2' ' CG ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -77.74 -46.64 21.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.79 -42.6 99.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 2.0 mm100 -50.8 -20.22 1.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.649 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -138.75 -174.43 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.649 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.99 150.01 37.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.682 ' CG ' ' HG2' ' A' ' 47' ' ' MET . 43.8 p-80 -163.61 158.08 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.629 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.632 ' N ' ' O ' ' A' ' 8' ' ' LYS . 70.1 t60 -147.15 14.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.529 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -157.51 134.33 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.787 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 24.1 t -134.38 94.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.533 ' HB ' ' CG2' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -114.35 138.82 43.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.57 170.57 15.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' HB2' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -97.79 -173.48 2.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.445 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -116.26 17.68 15.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.548 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -60.35 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.689 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -156.75 47.79 0.31 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 111.056 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.96 139.07 23.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HB2' ' CG ' ' A' ' 41' ' ' GLU . 4.5 mmtp -76.19 -20.72 57.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.464 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.9 OUTLIER -136.55 83.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 111.012 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.8 t70 -76.94 172.75 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -33.16 -58.7 0.5 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.96 -45.87 86.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.55 -42.7 84.86 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.534 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 1.4 mt -64.35 -39.12 93.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.583 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -59.43 -48.18 82.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -30.12 70.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.22 -45.19 57.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.687 HG23 ' N ' ' A' ' 74' ' ' ARG . 2.2 m -56.02 -36.41 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.687 ' N ' HG23 ' A' ' 73' ' ' VAL . 29.0 mtp85 -60.12 -19.88 55.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.03 -24.4 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -125.25 113.21 26.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.08 -5.83 17.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.25 -32.44 61.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.65 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . 5.9 t -104.91 6.71 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.16 -18.18 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.427 ' N ' ' HE3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -101.18 7.87 42.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.652 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.29 128.23 44.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -90.52 121.5 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.787 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.75 148.8 22.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -118.37 136.6 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.9 tp -133.3 110.95 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.57 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.02 130.38 41.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.464 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.7 OUTLIER -151.58 162.33 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.04 38.82 0.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' A' ' 88' ' ' THR . 2.4 mp0 -125.08 -59.84 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 46.48 72.15 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.55 121.92 31.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -26.86 37.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.11 83.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -36.13 82.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.9 t -61.46 -47.15 94.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.03 -30.87 65.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -60.96 -55.34 34.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.01 -47.53 36.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.22 -27.43 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -98.0 -20.17 17.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 3.4 tm? -66.8 -22.79 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.73 -19.67 1.82 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.61 144.28 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 0.819 . . . . 0.0 109.247 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 32.9 t30 -75.3 -43.13 52.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.459 HD13 ' CB ' ' A' ' 53' ' ' HIS . 2.3 tp -118.85 91.63 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.61 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.04 142.28 50.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.574 ' HB ' ' O ' ' A' ' 33' ' ' GLN . 4.2 t -101.39 128.45 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -110.51 117.14 32.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.529 ' CD1' ' O ' ' A' ' 11' ' ' ILE . 1.4 pp -136.28 110.47 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -133.2 130.42 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.605 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 2.1 m-20 -140.96 143.42 34.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.473 ' CB ' ' CG ' ' A' ' 60' ' ' ASN . 9.9 t70 -55.35 -48.26 74.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.03 140.43 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.556 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.5 t -70.56 -41.39 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.26 -36.18 70.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.511 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 27.8 m -72.32 -56.9 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.37 -29.67 70.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' VAL . 4.2 tt -73.17 -44.18 60.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.09 -57.56 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.519 HD22 ' HA ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -57.09 -50.26 73.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -61.96 -30.61 75.88 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.1 t70 -75.64 -47.81 24.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.747 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.94 -44.99 83.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.87 -26.46 62.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.571 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.37 -49.86 75.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.502 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -65.68 -13.16 58.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -94.52 -12.89 26.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.587 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 65.4 29.33 74.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.763 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -18.67 -101.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 0.729 . . . . 0.0 111.03 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -162.1 -56.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.227 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.574 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -159.16 126.85 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.738 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.2 pt -94.28 113.36 28.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.225 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.779 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -124.26 116.05 22.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.53 142.02 51.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.573 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -150.43 129.74 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.393 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.6 -90.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.31 -172.17 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -40.76 -40.51 2.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 1.8 tt0 -69.41 -57.87 4.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.481 ' O ' HD13 ' A' ' 46' ' ' ILE . 4.3 tt0 -59.92 -43.93 94.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -69.88 -26.26 74.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.488 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 5.6 tpt -68.14 -52.7 31.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 0.804 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' CG ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -68.56 -33.46 74.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.491 ' N ' HD13 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -70.06 -34.7 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.642 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -77.87 -46.48 21.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.435 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -63.27 -41.73 99.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.3 mm-40 -52.53 -20.23 2.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.221 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.623 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -137.07 -175.87 0.52 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.03 148.97 35.9 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.642 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 20.4 p-80 -165.78 158.91 15.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 109.643 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.61 ' N ' ' O ' ' A' ' 8' ' ' LYS . 45.6 t-80 -147.06 15.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.588 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.501 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -156.93 131.89 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.774 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 21.6 t -133.38 94.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -114.5 137.69 47.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.3 t -144.94 171.02 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.473 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -97.96 -173.21 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.506 ' CE2' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -116.05 17.77 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.544 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -59.05 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.684 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -159.19 48.01 0.26 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.99 137.87 22.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . 44.9 mmtt -76.25 -19.52 58.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 3.5 tpp -136.05 81.56 1.89 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.7 t70 -77.49 175.33 9.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.51 -60.86 0.37 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.432 ' O ' HD11 ' A' ' 70' ' ' LEU . 1.8 mt -57.66 -45.7 85.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.6 -41.49 73.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.502 ' CD2' HG12 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -64.68 -43.27 94.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.584 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.39 -43.78 92.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.446 ' N ' HD11 ' A' ' 70' ' ' LEU . 8.8 mt-30 -59.66 -35.99 75.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.65 72.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.701 HG22 ' N ' ' A' ' 74' ' ' ARG . 2.0 m -55.64 -36.57 42.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.395 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.701 ' N ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.11 -20.62 55.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.8 -25.08 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.9 114.86 15.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.483 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -74.99 -5.7 17.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.16 -32.97 69.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.539 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 14.2 t -102.74 7.07 39.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -78.21 -6.69 55.66 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 8.34 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.576 ' HB1' ' CD2' ' A' ' 52' ' ' HIS . . . -103.65 129.1 50.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.501 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.59 121.0 31.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.774 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.0 149.99 21.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.06 . . . . 0.0 111.048 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -121.52 134.26 65.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -132.04 113.1 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.536 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.4 130.67 42.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER -150.76 161.25 43.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.404 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.12 38.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -124.9 -58.73 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.248 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.83 71.65 0.48 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.55 119.47 28.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -25.61 34.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.44 -48.45 81.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.17 -35.63 80.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.1 t -61.17 -47.61 92.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.566 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.1 -30.02 64.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 14.4 ttmt -61.47 -55.79 27.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.67 -48.23 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.72 -27.61 29.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.79 -21.34 17.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -66.69 -22.06 66.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' C ' HD21 ' A' ' 70' ' ' LEU . . . 145.97 -20.75 1.78 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.436 ' N ' HD21 ' A' ' 70' ' ' LEU . . . -49.74 146.04 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 24.8 t30 -81.35 -36.67 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.36 179.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' A' ' 53' ' ' HIS . 2.8 tp -122.91 92.05 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.606 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.91 139.36 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.6 ' O ' ' O ' ' A' ' 33' ' ' GLN . 10.9 t -100.79 127.54 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.75 HD21 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -108.59 117.15 33.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.524 ' N ' HD21 ' A' ' 10' ' ' LEU . 1.4 pp -134.87 109.28 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 p -132.72 130.35 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.585 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 2.2 m-20 -139.35 144.83 38.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.528 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 3.3 t70 -56.04 -47.57 77.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.422 ' NE2' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -89.9 143.27 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.8 t -70.05 -42.6 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.422 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -58.51 -35.62 72.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 110.367 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.46 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.2 m -71.79 -57.8 4.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.012 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.585 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -63.09 -29.62 70.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.08 -44.66 65.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 mt -58.37 -56.89 16.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.516 ' CD2' ' OD2' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.79 -49.96 71.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.43 -29.38 73.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' LEU . 55.0 t0 -76.6 -47.89 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.01 83.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.33 -26.25 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.614 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -61.49 -49.13 78.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.336 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -12.91 29.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -95.28 -12.99 25.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.616 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.38 33.27 81.56 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.707 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.71 -103.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 111.029 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 13.1 tptt -163.51 -54.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.6 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.64 124.49 5.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.707 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.85 111.95 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.75 ' O ' HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.23 116.35 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.82 140.21 53.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.44 131.31 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.51 -89.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.21 -171.82 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.13 -43.93 3.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 12.8 mt-10 -67.72 -54.82 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.531 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.87 -44.3 94.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 47' ' ' MET . . . -71.63 -24.02 77.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.421 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 5.6 tpt -68.42 -49.13 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.776 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -70.68 -40.7 72.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.531 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.09 -33.83 66.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.675 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 30.0 ttp -77.49 -46.24 23.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.056 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.14 91.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 4.0 mm-40 -50.84 -19.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.638 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.5 -174.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.068 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.638 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -75.04 150.38 37.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.847 ' NE2' ' HG1' ' A' ' 79' ' ' THR . 55.9 p-80 -166.47 155.8 11.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.549 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.606 ' N ' ' O ' ' A' ' 8' ' ' LYS . 50.0 t-80 -146.48 14.14 1.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.473 1.108 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.521 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -156.87 134.41 10.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.782 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 21.9 t -133.57 95.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.501 ' HB ' ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -115.73 135.47 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.18 171.04 14.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.55 -173.56 2.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.451 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -115.49 15.46 16.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.528 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -57.15 -80.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.668 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -159.0 49.38 0.31 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.566 1.166 . . . . 0.0 111.049 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -74.93 138.93 23.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.499 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 11.8 mmtm -76.12 -19.52 58.44 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.488 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -138.01 83.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' GLY . 44.7 t0 -76.11 173.69 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.213 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.88 -60.91 0.4 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' O ' HD12 ' A' ' 70' ' ' LEU . 1.6 mt -57.11 -46.42 82.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -52.67 -44.79 60.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.51 ' CD1' HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -65.97 -38.17 87.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.624 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.14 -45.34 91.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.474 ' N ' HD12 ' A' ' 70' ' ' LEU . 36.9 mt-30 -61.34 -35.8 78.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.247 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.12 75.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.699 HG21 ' N ' ' A' ' 74' ' ' ARG . 2.2 m -55.79 -36.7 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.222 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.699 ' N ' HG21 ' A' ' 73' ' ' VAL . 7.0 mtm180 -59.51 -21.05 59.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.51 -24.93 14.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -125.97 113.43 24.32 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.508 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.03 -4.03 14.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.62 -36.37 68.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.847 ' HG1' ' NE2' ' A' ' 52' ' ' HIS . 10.4 t -102.94 7.32 39.23 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.587 1.179 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -71.92 -11.77 60.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 8.52 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.595 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.47 127.62 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.81 121.06 31.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.782 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.57 147.26 24.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.62 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -118.31 135.71 57.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 tt -132.54 111.64 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.582 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.51 128.97 41.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 90' ' ' GLN . 1.8 p -150.27 162.15 41.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.82 37.66 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.9 mp0 -125.16 -59.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.94 72.08 0.48 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.71 116.19 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -55.6 -24.62 34.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.98 79.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -35.9 80.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.573 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 49.0 t -61.51 -47.46 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -71.71 -30.45 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 11.0 ttmt -62.23 -55.66 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.408 ' O ' ' HB1' ' A' ' 104' ' ' ALA . . . -72.85 -49.18 31.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -52.83 -27.98 20.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.03 -20.15 18.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -66.47 -21.97 66.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.03 -15.85 1.53 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.488 ' N ' HD21 ' A' ' 70' ' ' LEU . . . -52.65 146.3 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 29.6 t30 -76.23 -40.9 50.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.52 0.2 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.5 -30.67 9.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.49 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -146.79 107.23 4.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.38 -34.11 60.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 7' ' ' ILE . 17.0 mt-10 -92.73 -46.07 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.17 27.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' A' ' 53' ' ' HIS . 2.3 tp -122.52 93.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.34 142.46 49.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.605 ' O ' ' O ' ' A' ' 33' ' ' GLN . 7.8 t -101.88 127.54 55.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.744 HD21 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -108.4 117.26 33.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 1.5 pp -135.1 108.95 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 37' ' ' ALA . 14.4 p -132.39 130.1 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.554 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 2.4 m-20 -139.41 144.28 38.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.522 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.6 t70 -57.53 -45.57 84.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.96 142.85 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.7 t -71.18 -42.42 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.59 -36.96 72.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.451 ' O ' HD23 ' A' ' 22' ' ' LEU . 15.8 m -72.34 -56.89 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.554 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.45 -29.51 70.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.47 -43.83 65.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.8 mt -59.21 -56.73 18.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.501 ' CD2' ' OD2' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.64 -49.24 73.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.33 -29.59 74.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 30.6 t70 -76.47 -48.59 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.7 84.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.429 HD13 ' CD2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -70.93 -27.27 63.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.589 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.8 mm-40 -60.73 -47.9 84.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -68.34 -12.98 61.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -93.32 -12.55 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.585 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 65.26 29.21 74.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.765 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -19.1 -100.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.024 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 4.3 tptt -162.22 -56.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.79 126.99 5.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.758 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -94.27 112.36 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.744 ' O ' HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.05 115.83 22.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.19 140.82 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.589 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -150.28 129.69 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 34.14 -89.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.5 -171.23 3.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.7 -43.5 4.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.6 mt-10 -67.72 -56.1 10.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.481 ' O ' HD12 ' A' ' 46' ' ' ILE . 1.5 tt0 -59.59 -42.47 92.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 47' ' ' MET . . . -72.33 -24.17 76.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 7.0 tpt -69.45 -48.62 60.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.67 -41.67 71.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.493 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -65.71 -33.77 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.673 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 35.8 ttp -77.35 -46.75 21.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.46 88.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 13.6 mm-40 -49.81 -20.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.632 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -133.51 -175.03 0.44 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.95 149.74 37.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.879 ' NE2' ' HG1' ' A' ' 79' ' ' THR . 56.2 p-80 -167.01 155.62 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.626 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.622 ' N ' ' O ' ' A' ' 8' ' ' LYS . 69.9 t60 -147.2 14.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.506 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -156.07 134.85 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.774 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 26.3 t -134.18 96.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -115.87 134.77 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.62 170.83 15.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.95 -173.76 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -114.31 17.04 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 111.003 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.522 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.8 OUTLIER -57.33 -81.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.663 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -159.96 49.81 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.663 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.01 140.33 25.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.545 1.813 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 32.4 mmtt -75.7 -19.83 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.489 ' CG ' HD11 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -138.96 84.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 68' ' ' GLY . 28.6 t0 -76.03 176.49 7.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -33.91 -60.43 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.409 HD21 ' N ' ' A' ' 67' ' ' LEU . 2.2 mt -56.69 -44.91 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.4 -43.02 76.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -65.16 -42.02 94.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.604 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -57.85 -45.13 86.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.449 ' N ' HD11 ' A' ' 70' ' ' LEU . 72.3 mt-30 -60.87 -35.59 76.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.2 -45.42 69.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.688 HG22 ' N ' ' A' ' 74' ' ' ARG . 1.8 m -55.58 -36.3 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.688 ' N ' HG22 ' A' ' 73' ' ' VAL . 2.0 mtp180 -59.94 -20.06 55.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.38 -23.74 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -127.99 113.5 20.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.472 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.06 -5.38 16.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.96 -34.22 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.879 ' HG1' ' NE2' ' A' ' 52' ' ' HIS . 8.5 t -104.08 7.29 36.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.389 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -73.4 -10.99 60.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -106.93 7.46 30.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.601 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.09 127.43 43.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.506 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.52 121.83 32.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.774 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.44 149.86 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -121.68 136.56 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.453 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -134.16 112.01 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.548 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.62 129.01 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.467 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.1 OUTLIER -151.58 162.4 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.423 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.72 38.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.0 OUTLIER -125.1 -59.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.8 73.73 0.25 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.67 118.23 24.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -21.88 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.8 -48.72 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -35.63 80.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.575 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 48.0 t -62.05 -47.14 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.15 -30.41 64.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.7 tttm -62.19 -55.27 30.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.26 -48.28 36.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.89 -27.83 32.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.43 -21.64 18.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 2.4 tm? -66.88 -21.78 66.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.05 -19.71 1.76 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.464 ' N ' HD21 ' A' ' 70' ' ' LEU . . . -49.63 145.78 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 30.2 t30 -77.86 -41.69 36.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -171.21 126.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -122.35 112.87 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.549 ' CD1' ' CG2' ' A' ' 124' ' ' VAL . 0.7 OUTLIER -122.69 154.62 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.603 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -93.79 155.64 17.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.444 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 7.2 ttpt -110.3 84.14 3.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.1 Cg_endo -75.01 156.7 42.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -74.8 -15.19 60.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.3 141.77 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.568 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.3 pt -72.39 -27.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -47.75 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.415 ' HB3' ' HG3' ' A' ' 111' ' ' PRO . 19.2 mttt -75.76 -44.04 43.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.416 ' O ' ' CG1' ' A' ' 121' ' ' ILE . 5.8 tpt -63.44 -42.07 98.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 22.0 ttpt -68.7 -31.98 71.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.54 -46.43 59.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.74 -52.35 65.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.536 ' CG1' ' HA ' ' A' ' 118' ' ' LYS . 1.2 pp -61.93 -44.96 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 118' ' ' LYS . 13.2 mt-10 -56.41 -26.64 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.53 -42.79 12.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.549 ' CG2' ' CD1' ' A' ' 108' ' ' LEU . 0.4 OUTLIER -61.3 -30.87 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.48 ' N ' HG11 ' A' ' 124' ' ' VAL . 1.4 m-85 -85.88 -55.63 3.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -62.0 -64.74 3.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.89 66.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -95.8 127.15 41.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mtp . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.461 0.172 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -15.69 63.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.49 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -142.98 104.91 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.04 -33.59 52.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 7' ' ' ILE . 14.3 mt-10 -92.32 -44.92 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER 38.68 29.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.491 ' N ' ' O ' ' A' ' 5' ' ' GLU . 2.1 tp -120.61 92.01 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.16 143.23 49.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.612 ' O ' ' O ' ' A' ' 33' ' ' GLN . 16.5 t -102.16 124.99 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.786 HD22 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -107.7 117.62 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.61 ' CD1' ' O ' ' A' ' 11' ' ' ILE . 1.6 pp -136.49 112.07 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 37' ' ' ALA . 7.1 p -132.67 131.07 59.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.548 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 1.3 m-20 -139.38 143.84 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 2.1 t70 -56.21 -50.91 69.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.65 144.21 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.57 1.169 . . . . 0.0 110.218 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.463 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 3.3 t -70.64 -42.54 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.7 -36.09 69.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.454 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.474 ' O ' HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -72.28 -57.9 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.998 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.548 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.35 -29.06 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.602 1.188 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.4 tt -72.3 -43.22 64.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.49 -56.61 19.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.506 ' CD1' ' CD1' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -55.91 -50.69 70.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.82 -31.0 76.68 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.552 1.158 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 18.0 t70 -74.71 -48.56 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 0.728 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.449 ' CB ' ' SD ' ' A' ' 117' ' ' MET . . . -56.83 -43.0 80.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.693 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 7.0 mp -72.68 -27.76 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.545 ' HA ' ' HE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -56.15 -49.82 72.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.1 mt-30 -66.03 -12.75 57.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.478 ' CD2' ' CG2' ' A' ' 121' ' ' ILE . 0.1 OUTLIER -101.57 -19.97 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 60.87 37.39 93.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.697 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -21.52 -93.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 110.971 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.66 -57.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.612 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.01 129.27 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.681 HG22 ' CE2' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -93.66 111.1 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.786 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.08 115.27 21.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 11' ' ' ILE . . . -124.96 143.33 50.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -151.28 130.36 12.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.62 -89.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -147.12 -173.34 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -38.32 -46.26 1.94 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.494 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 16.5 mt-10 -66.24 -55.46 16.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.534 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -60.02 -43.8 95.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -70.02 -26.25 74.56 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.475 ' CE ' ' HB3' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -67.1 -50.1 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 0.0 110.989 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -69.82 -32.98 71.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.534 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -71.44 -33.38 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.666 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 1.1 tmm? -79.6 -46.52 17.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.466 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.04 -41.54 98.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 1.5 mm100 -51.83 -20.21 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -139.12 -175.32 0.47 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.0 149.96 37.43 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.666 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 25.4 p-80 -164.68 157.34 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.634 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 8' ' ' LYS . 29.6 t-80 -147.4 15.27 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.601 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.53 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -157.17 132.18 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.739 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 45.1 t -133.18 95.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.488 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -113.83 137.01 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 t -144.6 170.06 16.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' OD1' HD13 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -96.29 -173.34 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -114.91 17.47 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' C ' ' CG ' ' A' ' 61' ' ' MET . 0.4 OUTLIER -59.08 -81.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.666 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -157.85 49.28 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.951 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.666 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -74.97 136.42 20.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.494 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 15.1 mmtt -75.83 -19.55 58.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.486 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 1.2 tpt -135.49 81.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 68' ' ' GLY . 28.3 t0 -77.16 173.97 11.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.27 -60.18 0.6 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 70' ' ' LEU . 2.5 mt -56.83 -45.12 82.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 0.78 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.64 -42.24 66.86 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.491 HD23 ' CE ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -63.76 -44.8 92.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 0.807 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.555 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -56.07 -41.62 75.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.448 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.0 mt-30 -63.49 -35.59 80.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.475 ' HB3' ' CE ' ' A' ' 44' ' ' MET . . . -71.02 -45.41 63.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.23 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.654 HG21 ' N ' ' A' ' 74' ' ' ARG . 1.4 m -56.02 -36.58 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.654 ' N ' HG21 ' A' ' 73' ' ' VAL . 17.2 mtp85 -60.38 -17.65 45.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.36 -22.73 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -133.38 114.32 13.47 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.424 1.077 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.488 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.04 -6.3 17.86 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.418 1.746 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.38 -26.76 63.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.512 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 14.2 t -111.26 6.9 20.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.488 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.66 -14.15 60.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.5 8.66 39.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.609 ' HB1' ' CD2' ' A' ' 52' ' ' HIS . . . -100.77 125.99 47.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.61 121.12 31.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.739 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.07 149.12 22.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.557 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -121.35 136.37 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.598 1.186 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.485 ' CG2' HG11 ' A' ' 107' ' ' VAL . 0.9 OUTLIER -134.62 111.43 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.565 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.77 129.96 41.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.2 OUTLIER -152.13 163.58 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 38.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.247 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.474 ' H ' ' C ' ' A' ' 88' ' ' THR . 2.5 mp0 -124.88 -60.2 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.51 72.39 0.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.41 118.68 26.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -55.25 -22.31 17.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.42 -48.54 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -35.68 78.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.573 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 54.1 t -62.03 -47.14 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.563 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -72.22 -30.21 64.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.0 ttmt -62.2 -54.76 36.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.92 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.27 -27.67 36.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.17 -23.24 17.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 25.0 tp -65.34 -22.59 66.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.78 -19.29 2.0 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.466 ' N ' HD23 ' A' ' 70' ' ' LEU . . . -49.26 144.32 5.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 31.3 t30 -77.45 -40.2 44.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 83' ' ' ALA . 2.9 t-20 -171.29 125.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.485 HG11 ' CG2' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -125.99 112.44 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 6.1 mt -135.07 152.28 51.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.677 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -101.54 149.17 24.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 110' ' ' LYS . 11.8 pttt -74.57 106.77 2.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.677 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.3 Cg_endo -74.91 157.28 43.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.6 -5.34 58.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.2 m -109.6 145.41 36.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.4 pt -68.67 -25.33 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.76 -44.84 80.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.309 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 111' ' ' PRO . 0.1 OUTLIER -77.17 -36.88 54.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.235 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.533 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 7.4 mtt -72.17 -39.54 68.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.938 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 2.3 ttpt -73.68 -32.29 63.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.39 -47.08 24.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.77 -49.7 74.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.334 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 117' ' ' MET . 2.3 pp -62.5 -45.8 97.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 118' ' ' LYS . 11.4 mm-40 -56.23 -26.51 51.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.37 -43.01 12.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.393 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.508 HG23 ' CB ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -61.56 -31.14 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.472 ' N ' HG13 ' A' ' 124' ' ' VAL . 4.1 m-85 -87.51 -51.41 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.055 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -64.75 -66.3 2.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.23 61.52 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -95.82 127.16 41.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mtp . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.492 0.187 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.8 -23.3 10.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -145.44 108.97 4.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.41 -36.83 64.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.475 ' C ' ' N ' ' A' ' 7' ' ' ILE . 15.2 mt-10 -94.0 -46.94 6.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 43.34 23.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.203 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.475 ' N ' ' C ' ' A' ' 5' ' ' GLU . 3.1 tp -124.01 91.59 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.718 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -123.54 139.55 53.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.605 ' O ' ' O ' ' A' ' 33' ' ' GLN . 8.9 t -102.4 128.49 55.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.749 HD23 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -110.27 117.33 33.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.533 ' N ' HD23 ' A' ' 10' ' ' LEU . 1.5 pp -135.23 110.31 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.367 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.6 p -132.82 129.45 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.567 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 2.2 m-20 -138.97 143.78 38.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.525 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.4 t70 -53.48 -50.8 64.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.28 143.55 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.7 t -69.99 -41.95 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -35.83 70.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.452 ' O ' HD22 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -72.67 -57.46 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.567 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.67 -29.18 70.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -71.8 -43.77 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.23 -57.03 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -55.8 -49.22 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.82 -29.11 73.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' LEU . 63.0 t0 -76.45 -48.04 21.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.797 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.482 ' HB1' ' CE ' ' A' ' 117' ' ' MET . . . -58.58 -48.29 81.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.464 ' CD1' ' HE2' ' A' ' 117' ' ' MET . 7.7 mp -71.67 -26.49 62.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.619 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.85 -48.85 79.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.6 -13.08 38.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 110.337 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.35 -12.95 25.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.618 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.86 34.12 81.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.706 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.08 -103.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 0.738 . . . . 0.0 110.913 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -163.37 -54.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.64 124.33 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.168 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.706 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.4 112.19 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.749 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.27 116.45 23.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.28 140.58 52.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.59 130.38 14.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.05 -89.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.3 -171.1 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.499 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.98 -44.67 4.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.44 1.088 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.7 mt-10 -66.93 -55.1 16.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.532 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.68 -43.76 93.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 47' ' ' MET . . . -71.93 -24.19 76.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.429 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 7.3 tpt -67.85 -50.99 53.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -69.69 -39.92 76.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.64 -32.8 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.679 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 29.3 ttp -78.61 -46.64 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.72 92.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 11.6 mm-40 -52.46 -19.72 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.635 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.3 -174.59 0.41 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.635 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.07 149.74 36.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.873 ' HE2' ' CB ' ' A' ' 79' ' ' THR . 56.1 p-80 -166.81 155.48 10.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 109.531 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.718 ' N ' ' O ' ' A' ' 8' ' ' LYS . 82.1 t60 -146.31 12.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.549 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -156.47 136.21 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.779 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 24.3 t -133.57 96.53 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.511 ' HB ' ' CG2' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -114.78 135.33 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.229 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.32 171.04 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.95 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 0.3 OUTLIER -100.37 -174.07 2.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -114.41 15.46 17.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.525 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -57.36 -81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 109.25 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.664 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 2.6 ptm -159.46 49.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.664 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -75.0 139.9 24.81 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.548 1.815 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.472 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 10.0 mmtm -75.59 -19.54 59.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.499 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -139.71 85.39 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' GLY . 25.0 t0 -76.39 174.74 9.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.76 -60.48 0.4 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.406 HD21 ' N ' ' A' ' 67' ' ' LEU . 1.5 mt -56.29 -45.73 80.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.77 -42.9 69.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.495 ' CG ' HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -65.43 -40.03 92.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.253 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.601 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -58.11 -45.44 87.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.456 ' N ' HD13 ' A' ' 70' ' ' LEU . 20.7 mt-30 -61.34 -35.81 78.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.58 -45.06 73.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.7 HG22 ' N ' ' A' ' 74' ' ' ARG . 2.1 m -56.03 -36.55 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.7 ' N ' HG22 ' A' ' 73' ' ' VAL . 4.5 mtm180 -59.66 -19.99 53.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.13 -25.44 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -125.64 114.11 25.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.237 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.48 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -75.02 -6.09 17.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.443 1.759 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.39 -33.05 62.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.873 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . 5.1 t -104.25 6.73 35.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.063 . . . . 0.0 110.389 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.45 -16.4 61.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.39 8.49 40.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.598 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.17 126.62 42.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.22 122.68 32.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.779 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.37 148.05 24.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.618 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -117.75 136.42 54.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 tt -132.2 111.59 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.563 ' O ' ' CD1' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.86 129.09 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.461 ' C ' ' H ' ' A' ' 90' ' ' GLN . 2.6 t -151.75 162.61 40.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.84 38.24 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.461 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.42 -59.1 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.172 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.0 70.15 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.26 116.96 23.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -56.14 -24.38 40.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.61 81.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.96 -35.87 79.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.568 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 55.0 t -61.85 -47.28 93.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.564 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 7.6 tt0 -72.1 -29.96 64.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.6 tptt -61.05 -55.83 28.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.404 ' O ' ' HB1' ' A' ' 104' ' ' ALA . . . -74.07 -48.52 29.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.16 -27.96 23.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.71 -21.29 17.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.244 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.7 tp -65.6 -22.43 66.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.86 -21.53 1.14 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.474 ' N ' HD22 ' A' ' 70' ' ' LEU . . . -48.51 152.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 32.5 t30 -82.09 -50.52 8.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.44 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 2.0 m120 -160.94 126.29 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 96' ' ' VAL . 2.0 t -116.32 114.35 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.525 ' HB2' HG13 ' A' ' 85' ' ' ILE . 1.1 mm? -118.81 151.55 37.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.55 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -98.52 155.81 17.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.452 ' CE ' HD21 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -112.49 77.31 2.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.4 Cg_endo -74.95 158.03 42.65 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.88 -22.25 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 117' ' ' MET . 0.6 OUTLIER -85.43 140.28 30.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.576 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.4 pt -71.88 -26.88 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -47.67 71.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.544 ' HB3' ' CG ' ' A' ' 111' ' ' PRO . 0.1 OUTLIER -71.29 -43.67 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.523 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -67.3 -41.54 85.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 7.2 ttpp -61.73 -35.14 77.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.33 -43.39 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.04 -50.03 72.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 118' ' ' LYS . 27.7 pt -60.69 -43.72 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -29.29 58.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.37 -45.19 13.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.513 ' CG2' ' CD2' ' A' ' 108' ' ' LEU . 0.4 OUTLIER -60.26 -30.84 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.468 ' N ' HG11 ' A' ' 124' ' ' VAL . 5.9 m-30 -81.89 -57.5 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -61.84 -66.83 2.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.36 66.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.401 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -93.68 127.05 39.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.498 0.19 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.92 -44.76 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.596 1.185 . . . . 0.0 109.952 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.469 ' HG ' ' HG3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -149.05 109.95 4.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.13 -36.7 66.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' C ' ' N ' ' A' ' 7' ' ' ILE . 16.9 mt-10 -94.6 -47.39 6.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 43.57 22.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.496 ' N ' ' C ' ' A' ' 5' ' ' GLU . 2.7 tp -125.45 93.18 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.684 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -124.29 142.21 51.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.619 ' O ' ' O ' ' A' ' 33' ' ' GLN . 10.2 t -104.54 128.56 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -109.86 117.41 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.577 ' CD1' ' O ' ' A' ' 11' ' ' ILE . 1.6 pp -134.87 111.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.2 p -133.05 127.36 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.507 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 2.0 m-20 -139.46 142.78 37.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.555 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.3 t0 -56.02 -47.8 77.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -86.92 139.9 30.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 20' ' ' LEU . 3.0 t -69.92 -41.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -36.01 70.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.362 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.17 -56.97 4.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.558 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.64 -28.45 69.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.345 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -73.33 -45.61 54.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.9 mt -59.8 -56.06 26.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' A' ' 19' ' ' ARG . 2.3 pp -56.38 -48.79 76.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.62 -29.62 75.2 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' LEU . 26.2 t0 -76.08 -48.02 22.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.09 82.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.398 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.31 -26.43 62.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.606 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -61.02 -49.02 79.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -13.24 56.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.481 HD13 ' CD1' ' A' ' 121' ' ' ILE . 0.1 OUTLIER -93.91 -13.26 27.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.43 31.42 76.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.733 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -18.97 -102.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 111.017 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HG2' ' CG2' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -162.92 -55.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.619 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -159.09 125.33 4.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.728 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.66 112.11 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.764 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -123.35 116.17 22.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 11' ' ' ILE . . . -124.45 140.59 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 109.222 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.12 130.68 14.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.78 -90.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.565 1.165 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -146.08 -171.93 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.46 -44.97 3.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.3 mt-10 -66.38 -55.45 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.527 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -60.42 -45.11 94.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.248 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -68.9 -25.89 75.0 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.486 1.116 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.5 tpt -68.17 -50.71 52.66 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.467 0.745 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' CG ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.89 -30.9 67.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -72.52 -35.51 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.657 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -77.93 -46.11 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.78 -42.79 99.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 6.4 mm-40 -53.96 -19.2 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.631 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.22 -174.86 0.43 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.631 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 152.57 40.96 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.768 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.657 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 17.1 p-80 -171.91 158.79 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.684 ' N ' ' O ' ' A' ' 8' ' ' LYS . 74.5 t60 -147.45 14.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.533 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.508 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -156.13 133.23 10.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.785 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 27.4 t -132.42 94.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.524 ' HB ' ' CG2' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -117.18 138.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.39 171.25 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.499 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -93.69 -172.9 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.573 ' CD2' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -117.71 17.03 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.555 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -57.48 -80.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.688 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 mtt -156.63 48.14 0.33 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.688 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.07 137.73 21.93 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 8.0 mmtt -76.68 -19.74 57.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.483 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -135.0 81.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLY . 24.9 t0 -76.0 173.1 11.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -33.5 -57.71 0.57 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.44 -45.78 87.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.24 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.3 -44.53 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.538 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 1.5 mt -62.94 -39.09 93.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.556 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -60.32 -48.84 80.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.79 -35.67 68.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.0 -46.11 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.695 HG22 ' N ' ' A' ' 74' ' ' ARG . 2.2 m -56.15 -36.08 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.695 ' N ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -61.16 -19.62 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.259 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.16 -22.03 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -130.67 112.9 16.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.472 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -74.96 -5.8 17.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.786 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.89 -33.62 66.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.516 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 13.2 t -102.74 6.84 39.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -76.08 -7.45 54.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 8.53 29.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.631 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.62 128.7 50.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.534 ' CB ' ' CG2' ' A' ' 124' ' ' VAL . . . -89.68 121.01 31.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.785 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.34 149.87 21.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -122.57 134.93 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.456 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -131.22 113.13 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.352 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.573 HD11 ' CD2' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -93.7 130.75 39.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 90' ' ' GLN . 1.2 t -151.25 161.92 41.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.8 38.27 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.0 OUTLIER -126.14 -59.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.96 72.22 0.41 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.07 122.08 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 94' ' ' ALA . 8.3 ptt180 -55.11 -26.54 38.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 93' ' ' ARG . . . -60.41 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -35.94 81.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.579 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 61.4 t -61.29 -47.87 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -71.71 -29.95 65.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -61.53 -55.93 25.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.83 -47.92 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.7 -27.51 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.24 -21.07 17.48 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.431 1.082 . . . . 0.0 109.246 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 36.3 tp -66.39 -22.56 66.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.0 -19.15 1.59 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.454 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . . . -54.23 146.21 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.407 0.71 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 18.2 t30 -80.66 -37.14 31.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -170.84 127.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -128.27 112.68 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 1.6 mt -134.3 154.86 51.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.626 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -105.76 148.69 27.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 108.08 5.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.626 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.5 Cg_endo -75.03 158.06 42.3 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.76 -3.13 58.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.5 m -113.68 145.27 41.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.3 pt -70.02 -25.17 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -44.06 80.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.252 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.419 ' HB3' ' CB ' ' A' ' 111' ' ' PRO . 0.4 OUTLIER -76.04 -38.01 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.558 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 10.2 tmm? -72.83 -37.92 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 14.6 ttpt -72.41 -32.67 66.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.46 -45.91 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.72 -48.83 78.48 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.53 ' CG1' ' O ' ' A' ' 117' ' ' MET . 2.3 pp -63.18 -45.86 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.71 -25.66 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.39 -43.17 11.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.534 ' CG2' ' CB ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.54 -35.67 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -84.0 -52.16 6.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -62.74 -66.85 2.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.36 67.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -94.4 126.99 40.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtp . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.502 0.191 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.27 -14.43 43.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.062 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.506 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.59 105.7 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.76 -34.02 62.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 7' ' ' ILE . 11.1 mt-10 -92.23 -43.52 9.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER 38.2 30.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 5' ' ' GLU . 2.0 tp -117.98 91.23 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.598 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.03 142.58 49.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.583 ' HB ' ' O ' ' A' ' 33' ' ' GLN . 3.3 t -101.26 127.31 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.771 HD22 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -110.07 117.83 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.53 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 1.5 pp -136.61 111.06 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 37' ' ' ALA . 7.5 p -132.59 130.84 59.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.564 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 2.8 m-20 -140.05 144.29 36.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CB ' ' CG ' ' A' ' 60' ' ' ASN . 3.8 t70 -58.56 -32.53 68.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -103.06 140.37 37.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.564 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.6 t -71.09 -41.32 76.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.41 -37.02 72.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.462 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.507 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.2 m -71.79 -57.26 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.944 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.564 ' CG ' ' HA ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -62.04 -30.57 71.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -71.04 -44.19 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.61 -57.06 12.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.525 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 1.9 pp -57.0 -47.36 81.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -66.05 -30.31 76.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 20' ' ' LEU . 7.8 t0 -73.49 -48.41 33.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HB2' ' CE ' ' A' ' 117' ' ' MET . . . -56.59 -44.78 81.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -72.01 -25.97 62.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.587 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -61.2 -49.8 75.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.501 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -64.03 -12.39 37.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.469 HD21 ' CG1' ' A' ' 121' ' ' ILE . 0.1 OUTLIER -96.43 -14.03 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.588 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 67.17 31.27 77.1 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.745 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -19.73 -101.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.771 . . . . 0.0 110.962 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -162.4 -56.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.583 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -158.91 126.99 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.731 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -95.76 112.47 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.771 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -122.65 117.04 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 11' ' ' ILE . . . -124.87 140.9 52.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.99 130.54 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.06 -90.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -145.91 -171.97 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -40.77 -43.82 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 63' ' ' LYS . 4.9 mm-40 -67.15 -55.46 14.08 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.505 0.768 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.483 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -60.34 -45.11 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -69.92 -25.12 75.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.429 1.081 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.447 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 5.1 tpt -68.41 -49.73 57.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.52 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 2.0 ptmt -70.87 -32.56 69.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.52 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 1.2 mp -72.49 -33.18 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -79.38 -46.97 16.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.28 99.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 4.8 mm-40 -51.53 -19.95 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -138.16 -175.36 0.47 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.01 149.53 36.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.654 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 23.3 p-80 -165.21 157.14 15.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.592 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.598 ' N ' ' O ' ' A' ' 8' ' ' LYS . 41.6 t-80 -146.9 15.36 1.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.508 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -156.55 133.16 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.75 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 22.7 t -134.13 94.18 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.515 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -113.74 136.67 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.15 171.37 14.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.465 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -98.16 -173.52 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.481 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -114.03 17.44 17.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 111.051 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.531 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -58.5 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.672 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -160.03 48.76 0.27 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.672 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.03 137.14 21.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' HB2' ' CG ' ' A' ' 41' ' ' GLU . 27.1 mmtt -76.18 -19.66 58.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.44 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -136.96 80.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' GLY . 43.6 t0 -77.62 177.62 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.53 -63.01 0.29 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.405 ' O ' HD11 ' A' ' 70' ' ' LEU . 2.3 mt -57.68 -45.34 85.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 0.719 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -49.66 -46.83 38.43 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.593 1.183 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.494 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -64.34 -40.21 95.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.602 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -57.31 -45.36 84.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.437 ' N ' HD12 ' A' ' 70' ' ' LEU . 8.8 mt-30 -61.82 -35.91 79.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.67 -45.02 72.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.705 HG23 ' N ' ' A' ' 74' ' ' ARG . 2.0 m -55.56 -36.96 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.705 ' N ' HG23 ' A' ' 73' ' ' VAL . 7.5 mtm180 -59.42 -19.16 45.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.67 -23.51 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -131.74 113.75 15.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.497 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.0 -4.32 15.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.42 1.748 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.5 -30.76 64.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.514 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 15.0 t -106.17 7.15 31.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.51 -16.49 60.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.64 8.64 43.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' A' ' 52' ' ' HIS . . . -100.65 126.32 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.538 ' CB ' ' CG2' ' A' ' 124' ' ' VAL . . . -89.66 121.24 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.75 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.51 150.09 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 111.048 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.561 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -122.04 136.27 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.464 HG23 ' CG1' ' A' ' 107' ' ' VAL . 3.3 tt -133.46 113.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.543 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.3 129.3 42.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.471 ' C ' ' H ' ' A' ' 90' ' ' GLN . 1.2 t -151.28 161.8 42.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.79 38.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.173 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -124.51 -59.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.09 71.81 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.61 111.14 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -55.41 -24.48 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.89 -48.64 79.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -35.13 78.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.582 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.3 t -61.42 -47.71 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -71.88 -30.97 65.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 3.6 ttmm -63.26 -54.91 29.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 104' ' ' ALA . . . -72.53 -49.16 34.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.17 -28.89 28.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -92.06 -24.13 19.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 1.4 tt -66.35 -20.97 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.9 -25.1 0.92 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 100' ' ' ALA . . . -48.73 140.95 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -79.67 -37.07 36.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -171.62 125.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -124.92 112.43 31.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.513 ' O ' ' CG1' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.17 141.97 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.652 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -95.4 151.13 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -72.75 107.43 3.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.652 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.5 Cg_endo -74.98 158.39 42.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -89.43 -2.81 58.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.2 m -120.83 146.32 46.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.509 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.8 pt -68.21 -23.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -44.27 82.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -39.06 59.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 109.239 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.516 ' O ' ' CG1' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -71.31 -38.56 71.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 7.7 ttmt -72.14 -32.38 66.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.39 -47.22 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.23 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.65 -50.05 73.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 117' ' ' MET . 2.2 pp -62.18 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.09 -24.66 55.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.45 -42.91 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.538 ' CG2' ' CB ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.15 -36.6 73.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -84.46 -52.65 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.494 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -61.64 -66.47 2.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.72 62.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -95.99 127.12 41.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.512 0.196 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.1 -31.34 6.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.486 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -145.91 107.92 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.19 -36.25 65.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.502 ' C ' ' N ' ' A' ' 7' ' ' ILE . 17.6 mt-10 -93.81 -46.32 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 42.84 23.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.502 ' N ' ' C ' ' A' ' 5' ' ' GLU . 3.4 tp -124.95 92.73 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.674 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.64 141.09 52.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.574 ' O ' ' O ' ' A' ' 33' ' ' GLN . 4.7 t -103.41 128.89 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -110.23 117.38 33.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 11' ' ' ILE . 1.2 pp -135.15 110.41 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 37' ' ' ALA . 13.8 p -133.56 130.62 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.568 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 2.9 m-20 -138.99 143.97 38.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.535 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.3 t70 -56.46 -34.51 66.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.16 141.65 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.552 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.8 t -70.02 -41.25 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.73 -36.35 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.497 ' C ' HD22 ' A' ' 22' ' ' LEU . 1.4 m -72.11 -57.58 4.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.956 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.568 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -61.96 -30.23 70.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 3.6 tt -71.55 -43.71 65.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.4 mt -63.32 -56.82 13.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 1.7 pp -58.24 -49.08 78.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -63.84 -30.54 78.01 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 6.9 t70 -74.41 -46.92 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.77 81.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.21 -25.47 61.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.584 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -60.63 -50.29 74.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -61.76 -13.0 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -96.39 -14.56 22.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.98 34.31 81.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.723 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.04 -103.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 111.019 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -162.92 -54.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.574 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.07 124.69 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.723 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.97 112.57 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.759 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -122.36 117.38 25.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 110.387 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.06 139.67 53.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.61 130.03 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.69 -89.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.555 1.159 . . . . 0.0 111.051 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.02 -171.87 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.18 -43.77 3.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.482 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 13.7 mt-10 -67.87 -55.6 12.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 0.792 . . . . 0.0 110.248 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.528 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -59.65 -42.76 93.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 47' ' ' MET . . . -72.23 -24.27 76.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.418 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 6.7 tpt -68.71 -49.97 54.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' CG ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.81 -40.66 75.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.528 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.75 -33.15 61.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.685 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 33.2 ttp -77.94 -46.49 21.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.73 91.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.7 mm-40 -50.71 -19.97 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.646 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.05 -173.93 0.38 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.646 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.12 150.39 37.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.88 ' HE2' ' CB ' ' A' ' 79' ' ' THR . 56.1 p-80 -168.64 155.01 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.674 ' N ' ' O ' ' A' ' 8' ' ' LYS . 65.0 t60 -146.41 12.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.589 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.518 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -154.62 134.41 12.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.78 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 23.2 t -132.38 96.18 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.47 HD13 ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -116.08 136.09 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -143.86 170.88 15.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -96.99 -173.16 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.482 ' CE2' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -115.68 17.36 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.535 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -59.23 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.684 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 6.5 mtt -156.67 48.1 0.32 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.96 138.01 22.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.482 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 27.9 mmtt -75.95 -21.16 57.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.443 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -134.57 80.8 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.581 1.176 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 68' ' ' GLY . 29.4 t0 -77.32 176.2 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' HA2' ' CD1' ' A' ' 69' ' ' LEU . . . -31.72 -61.91 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' O ' HD12 ' A' ' 70' ' ' LEU . 2.3 mt -57.12 -45.04 83.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -56.52 -41.69 89.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.525 ' CD1' HG13 ' A' ' 55' ' ' VAL . 1.2 mt -63.1 -41.26 99.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.585 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.17 -44.88 92.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.415 ' N ' HD13 ' A' ' 70' ' ' LEU . 80.4 mt-30 -59.47 -34.18 72.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.38 72.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.675 HG23 ' N ' ' A' ' 74' ' ' ARG . 2.5 m -55.85 -36.57 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.675 ' N ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -60.7 -20.67 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.28 -21.5 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -130.16 110.92 16.81 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.569 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.02 -5.0 16.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.29 -30.81 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.88 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . 13.9 t -104.39 8.32 35.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -63.26 -22.8 67.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.02 8.2 41.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -92.19 122.43 34.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.546 ' CB ' ' CG2' ' A' ' 124' ' ' VAL . . . -90.21 121.63 32.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.78 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.95 150.6 21.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.564 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -122.41 134.79 64.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.368 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.442 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -131.16 113.59 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.57 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.07 129.32 42.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER -151.51 161.4 42.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.434 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.7 38.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.18 -58.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.17 71.33 0.5 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.562 1.164 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.86 119.18 27.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.42 -24.97 33.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.56 81.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.57 -35.29 78.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.576 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.2 t -61.36 -47.73 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.3 -30.77 65.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -59.96 -55.71 30.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.35 -48.47 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.27 -28.05 25.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.571 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.96 -22.57 17.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 3.4 tm? -66.18 -21.18 66.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.43 ' C ' HD21 ' A' ' 70' ' ' LEU . . . 148.25 -25.01 1.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.054 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.405 ' N ' HD21 ' A' ' 70' ' ' LEU . . . -48.72 152.85 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 20.3 t30 -86.99 -39.78 15.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -171.64 126.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 13.4 p -128.16 112.12 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 1.8 mt -131.94 153.22 50.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.618 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -104.21 147.38 27.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.434 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -77.17 108.13 6.25 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.618 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.5 Cg_endo -74.94 158.22 42.56 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -4.39 52.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.6 m -111.39 143.72 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.406 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 2.9 pt -71.42 -24.77 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.07 -43.59 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -39.3 57.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.55 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 10.8 tmm? -71.92 -37.92 69.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 4.1 tttt -72.36 -32.94 66.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.87 -45.4 28.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.88 75.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.522 ' CG1' ' O ' ' A' ' 117' ' ' MET . 2.1 pp -60.59 -44.71 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -55.11 -32.08 61.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.23 -42.61 18.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 109.354 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.546 ' CG2' ' CB ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.7 -30.58 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.475 ' N ' HG12 ' A' ' 124' ' ' VAL . 5.1 m-85 -82.23 -64.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -56.11 -61.21 7.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.04 66.36 0.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -94.42 127.11 40.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.49 0.186 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.6 -44.24 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' HG ' ' HG3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -148.19 110.26 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.2 -35.69 69.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' C ' ' N ' ' A' ' 7' ' ' ILE . 21.4 mt-10 -95.7 -46.86 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.235 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 44.35 21.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.5 ' N ' ' C ' ' A' ' 5' ' ' GLU . 3.6 tp -125.69 93.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.71 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -123.63 142.08 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.583 ' O ' ' O ' ' A' ' 33' ' ' GLN . 6.1 t -104.13 127.75 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.208 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.763 HD21 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -110.07 117.12 32.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.532 ' N ' HD21 ' A' ' 10' ' ' LEU . 1.3 pp -135.62 110.29 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 37' ' ' ALA . 9.2 p -132.07 130.5 61.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.587 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 2.4 m-20 -139.27 143.71 38.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.553 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 6.2 t0 -54.16 -48.36 70.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -89.55 143.95 26.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' LEU . 2.9 t -70.62 -42.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -35.91 72.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.479 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 1.4 m -71.14 -57.36 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.094 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.587 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -63.91 -28.84 70.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.99 -44.17 63.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.22 -57.25 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.519 ' CD2' ' OD2' ' A' ' 13' ' ' ASP . 0.8 OUTLIER -56.84 -49.44 75.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -63.13 -30.43 77.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' LEU . 9.3 t70 -74.97 -47.46 29.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.22 83.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD11 ' CG2' ' A' ' 121' ' ' ILE . 2.3 mm? -71.47 -26.39 62.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.577 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -60.72 -50.2 74.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 110.228 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.505 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -62.13 -12.72 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.352 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.52 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -96.88 -14.43 21.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.622 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.54 34.35 83.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.712 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.24 -103.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -163.35 -53.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.583 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.6 124.41 4.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.712 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.32 112.77 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.763 ' O ' HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.55 116.77 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.37 140.62 52.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.377 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.28 130.91 14.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.08 -90.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -145.93 -171.89 3.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.59 -44.38 3.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 11.6 mt-10 -66.94 -55.66 13.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.536 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -60.29 -44.89 94.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -68.96 -26.07 74.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.496 ' SD ' ' CB ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -68.49 -52.39 32.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.773 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 0.6 OUTLIER -67.99 -32.88 73.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -71.88 -34.42 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.645 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -78.06 -46.65 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.412 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -63.13 -42.16 99.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 24.9 mm-40 -54.37 -19.41 5.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.06 -174.69 0.42 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.07 152.44 40.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.645 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 15.7 p-80 -171.92 158.15 4.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 109.552 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.71 ' N ' ' O ' ' A' ' 8' ' ' LYS . 39.4 t-80 -146.76 13.99 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.612 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -155.98 133.94 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.771 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 22.5 t -132.39 94.64 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.487 ' CD1' HG21 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -114.23 138.08 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.5 t -144.29 170.99 14.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -97.15 -172.38 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.449 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -117.76 17.15 14.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.553 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -59.96 -80.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.689 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 5.6 mtt -156.44 47.98 0.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -74.99 136.83 20.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.481 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 15.8 mmtt -76.31 -20.11 57.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.376 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.467 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -134.31 81.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLY . 24.2 t0 -76.49 173.14 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -33.04 -58.49 0.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.2 mt -58.04 -45.29 87.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.97 -43.5 87.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.5 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 1.5 mt -64.5 -39.34 93.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.559 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -60.47 -48.84 80.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -57.23 -35.97 70.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.496 ' CB ' ' SD ' ' A' ' 44' ' ' MET . . . -67.16 -46.09 75.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.698 HG22 ' N ' ' A' ' 74' ' ' ARG . 2.2 m -56.06 -36.4 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.226 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.698 ' N ' HG22 ' A' ' 73' ' ' VAL . 7.8 mtt180 -60.71 -20.77 61.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.25 -21.94 14.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -129.6 112.74 17.81 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.478 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -74.99 -5.49 16.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.549 1.815 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.32 -34.75 65.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.54 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 13.3 t -101.48 6.12 42.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.347 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.49 -8.81 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.85 7.8 30.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.62 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.49 127.79 49.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.41 120.69 30.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.771 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.17 148.59 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -120.72 136.09 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -133.82 111.66 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.557 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.56 129.94 42.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.47 ' C ' ' H ' ' A' ' 90' ' ' GLN . 3.8 t -151.88 161.82 42.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 110.464 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.4 39.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.47 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -126.04 -60.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.86 74.65 0.2 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.72 120.9 30.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -26.13 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.96 83.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.77 -35.75 79.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 58.8 t -61.12 -47.54 93.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 2.8 tt0 -72.03 -30.75 65.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.249 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -62.07 -55.08 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.39 -48.46 33.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.275 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.8 -27.82 31.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.3 -21.39 17.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 3.2 tm? -66.82 -22.22 66.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.56 -17.57 2.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.479 ' HB2' ' CD2' ' A' ' 70' ' ' LEU . . . -53.89 144.45 18.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 14.8 t30 -81.18 -35.87 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -171.85 126.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 14.3 p -128.22 112.05 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.522 ' O ' ' CG1' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -134.68 140.35 45.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.617 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -86.39 149.51 24.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.552 ' CG ' ' O ' ' A' ' 110' ' ' LYS . 0.7 OUTLIER -74.56 108.26 4.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.617 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.3 Cg_endo -74.96 158.25 42.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.38 -4.04 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.5 m -114.94 146.78 40.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.6 pt -68.52 -24.48 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.09 -44.26 80.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.44 ' HB3' ' CB ' ' A' ' 111' ' ' PRO . 41.6 mttm -75.85 -39.45 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.529 ' O ' ' CG1' ' A' ' 121' ' ' ILE . 12.8 tmm? -70.97 -39.2 72.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 2.8 tttt -71.42 -32.32 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.05 -47.01 21.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.94 78.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.37 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.529 ' CG1' ' O ' ' A' ' 117' ' ' MET . 2.3 pp -62.77 -45.78 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -56.71 -26.04 55.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.351 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.14 -42.96 11.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.531 ' CG2' ' CB ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.58 -33.83 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -84.65 -54.1 4.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -61.77 -65.36 3.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.1 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.498 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.61 67.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 0.721 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -93.83 127.06 39.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 mtp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.512 0.196 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.35 -16.18 9.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.415 ' HB3' ' CA ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -144.48 106.0 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.9 -35.06 63.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.397 1.061 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 7' ' ' ILE . 6.8 mt-10 -92.46 -42.94 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.499 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER 39.04 30.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 5' ' ' GLU . 2.6 tp -109.64 90.41 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.97 143.9 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.625 ' HB ' ' O ' ' A' ' 33' ' ' GLN . 11.4 t -102.52 125.43 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.735 HD21 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -109.09 116.06 31.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.508 ' N ' HD21 ' A' ' 10' ' ' LEU . 5.4 pt -136.08 110.32 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.34 132.5 62.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.561 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 1.7 m-20 -139.41 143.7 37.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.518 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -55.13 -50.7 68.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -85.69 142.94 28.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.537 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 t -69.65 -40.97 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -34.78 67.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.399 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.505 ' C ' HD21 ' A' ' 22' ' ' LEU . 1.4 m -73.42 -57.82 3.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.561 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -61.42 -30.69 70.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -71.33 -44.16 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.95 -57.4 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.505 HD21 ' C ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -55.75 -49.79 72.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.55 -29.92 75.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' LEU . 29.8 t0 -76.72 -48.63 18.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.1 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -71.32 -27.29 63.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.582 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 1.7 mm-40 -60.25 -47.77 84.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.275 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -13.1 62.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.526 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -92.68 -11.87 32.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.589 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 64.21 27.56 71.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.013 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.773 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -18.67 -99.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -161.04 -56.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.625 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.54 128.44 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.727 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -92.17 111.32 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.735 ' O ' HD21 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -125.16 114.58 19.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.28 142.54 51.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -150.5 130.72 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.97 -89.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -146.26 -172.11 3.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.5 -44.58 3.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.489 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 12.0 mt-10 -67.64 -55.49 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -59.41 -42.74 92.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.487 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -71.98 -24.41 76.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.505 ' HG2' ' CE ' ' A' ' 64' ' ' MET . 2.9 tpt -68.69 -47.78 65.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -70.61 -38.84 74.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -67.53 -34.07 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.687 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -78.96 -45.21 20.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 0.0 110.959 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.14 95.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 2.7 mm100 -52.76 -19.79 2.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.25 -175.24 0.46 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.98 150.86 38.9 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 1.057 ' NE2' ' HG1' ' A' ' 79' ' ' THR . 45.6 p-80 -165.49 156.61 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.626 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.651 ' N ' ' O ' ' A' ' 8' ' ' LYS . 44.0 t-80 -146.95 13.62 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -157.05 133.96 10.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.763 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 40.0 t -133.99 95.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.476 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.65 136.4 51.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -143.62 170.89 14.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.03 -173.8 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.446 ' CD2' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -114.17 17.79 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.518 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -59.17 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.68 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 2.2 mtm -157.47 48.77 0.33 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.06 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.68 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.01 138.88 23.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.431 1.753 . . . . 0.0 110.962 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.489 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 42.4 mmtt -77.02 -20.25 56.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.231 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.505 ' CE ' ' HG2' ' A' ' 44' ' ' MET . 0.1 OUTLIER -137.65 85.84 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 111.055 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 68' ' ' GLY . 28.8 t0 -78.39 175.57 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.83 -59.77 0.69 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.55 -44.33 80.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.358 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.21 -42.72 63.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.499 HD11 ' CG1' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -64.49 -41.93 96.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 109.268 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.582 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -57.25 -45.43 83.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.447 ' N ' HD12 ' A' ' 70' ' ' LEU . 4.5 mt-30 -61.33 -35.64 77.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.37 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.479 ' CB ' ' CE ' ' A' ' 64' ' ' MET . . . -68.92 -44.56 72.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.7 HG23 ' N ' ' A' ' 74' ' ' ARG . 2.0 m -55.75 -36.66 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.7 ' N ' HG23 ' A' ' 73' ' ' VAL . 9.9 mtp85 -60.16 -19.16 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.339 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.8 -20.79 13.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.624 1.203 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -133.06 112.87 13.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.372 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.497 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -4.93 16.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.557 1.82 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.88 66.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 1.057 ' HG1' ' NE2' ' A' ' 52' ' ' HIS . 13.4 t -106.16 7.66 31.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.9 -12.52 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 7.77 29.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' CD2' ' A' ' 52' ' ' HIS . . . -98.81 125.5 44.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.78 121.03 31.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.763 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.44 149.6 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.548 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -121.25 136.22 58.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.403 HG23 ' CG1' ' A' ' 107' ' ' VAL . 0.9 OUTLIER -133.46 112.67 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.344 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.563 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.82 130.02 41.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.5 OUTLIER -150.9 161.27 43.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.391 1.057 . . . . 0.0 110.405 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.62 38.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.16 -59.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 46.46 74.86 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.77 118.21 24.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -26.3 39.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.31 82.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -36.14 82.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.354 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 53.0 t -61.43 -47.26 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.0 OUTLIER -71.9 -31.53 66.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -61.08 -54.96 38.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.71 -48.08 34.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.613 1.195 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.27 -28.2 40.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.64 -21.63 18.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 12.5 tp -66.96 -22.17 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.13 -21.59 1.75 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.439 ' N ' HD22 ' A' ' 70' ' ' LEU . . . -48.44 143.18 5.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 31.9 t30 -76.52 -38.81 54.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -172.62 125.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 0.7 OUTLIER -122.05 112.75 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.504 ' HB2' ' CG1' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -126.58 150.61 48.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.253 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.617 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -91.61 155.43 18.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.474 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 5.9 ttpt -109.71 84.74 3.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.617 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.2 Cg_endo -74.97 156.52 43.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -12.27 61.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.12 141.02 29.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.5 pt -73.84 -26.67 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.45 -47.65 78.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.402 ' HB3' ' HG3' ' A' ' 111' ' ' PRO . 1.4 mttt -76.36 -44.71 35.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.212 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.45 ' CE ' HD22 ' A' ' 26' ' ' LEU . 8.8 tpt -62.53 -42.59 99.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -69.85 -30.92 68.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.27 -46.9 63.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.91 -51.98 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.517 ' CG1' ' HA ' ' A' ' 118' ' ' LYS . 2.8 pp -62.09 -45.42 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -56.42 -25.6 50.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.48 -41.57 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -61.65 -32.23 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.495 ' N ' HG12 ' A' ' 124' ' ' VAL . 2.0 m-85 -92.89 -53.29 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.477 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -62.87 -60.62 7.42 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.54 1.15 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.45 61.59 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -95.74 127.05 41.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' SER . 63.7 mtp . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.481 0.181 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -37.13 -35.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.48 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -144.58 106.77 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.33 -34.86 61.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 7' ' ' ILE . 10.2 mt-10 -91.88 -44.01 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER 38.65 30.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.473 ' CD1' ' CG ' ' A' ' 53' ' ' HIS . 2.6 tp -118.25 91.33 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.71 141.86 50.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.592 ' HB ' ' O ' ' A' ' 33' ' ' GLN . 9.9 t -101.42 125.94 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.71 HD23 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -108.76 116.67 32.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.553 ' O ' HG13 ' A' ' 11' ' ' ILE . 9.7 pt -136.6 110.15 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 37' ' ' ALA . 12.5 p -132.55 130.1 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.526 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -138.62 141.4 39.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.553 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 6.6 t0 -50.85 -50.84 55.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.66 143.32 27.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' LEU . 2.6 t -70.06 -42.95 79.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -34.97 68.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.495 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.2 m -72.18 -57.2 4.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.526 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -63.99 -28.69 69.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -73.11 -43.44 61.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.13 -57.29 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -56.17 -49.51 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.489 ' HA2' ' CD1' ' A' ' 11' ' ' ILE . . . -63.51 -30.34 77.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.118 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' LEU . 63.5 t0 -74.8 -48.04 27.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.8 81.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.77 -25.87 62.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.57 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.27 -50.46 73.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.511 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -62.11 -12.57 20.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.481 ' CD1' HD11 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -97.99 -14.62 20.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.61 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.64 34.7 84.41 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.733 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.97 -103.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 15.9 tptt -162.29 -55.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.592 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.1 125.37 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.733 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.2 pt -94.96 111.83 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.71 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -122.87 116.27 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.58 140.78 52.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.87 129.53 13.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 35.09 -88.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.93 -171.67 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -42.28 -39.44 3.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.418 1.074 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 2.0 tt0 -69.5 -58.02 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.528 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.57 -43.04 93.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -71.59 -25.3 75.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 7.2 tpt -68.64 -48.36 64.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -71.62 -39.46 70.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.528 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -64.93 -34.45 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.688 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -79.14 -45.06 20.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 111.0 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.62 95.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 6.2 mm-40 -54.48 -19.4 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.632 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.69 -175.2 0.46 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.06 149.18 36.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.688 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 46.9 p-80 -164.99 158.33 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.621 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.633 ' N ' ' O ' ' A' ' 8' ' ' LYS . 58.3 t-80 -146.19 14.24 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.564 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -157.85 133.76 9.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.759 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 23.0 t -133.74 94.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.484 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.1 138.75 42.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.6 169.89 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -96.97 -172.47 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.474 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -117.71 17.11 14.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.553 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -60.6 -80.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.698 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 3.1 mtp -156.47 47.28 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.698 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -75.11 137.06 20.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . 3.6 mmtp -76.95 -19.88 56.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -134.24 80.12 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 68' ' ' GLY . 26.3 t0 -76.85 173.96 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.24 -60.03 0.37 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 67' ' ' LEU . 1.4 mt -58.12 -46.69 85.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -52.96 -45.88 61.42 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.546 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 1.3 mt -63.24 -39.03 93.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.546 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -61.19 -48.76 80.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.373 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -56.6 -35.2 67.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.63 74.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.697 HG23 ' N ' ' A' ' 74' ' ' ARG . 2.3 m -56.39 -36.4 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.697 ' N ' HG23 ' A' ' 73' ' ' VAL . 10.4 mtm180 -61.0 -17.31 51.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.7 -21.87 13.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -133.24 113.47 13.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.6 Cg_endo -74.97 -5.74 17.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.61 -26.6 64.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.514 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 10.5 t -111.08 6.14 20.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.475 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.96 -12.33 60.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 7.76 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.606 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.38 127.74 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.62 121.73 32.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.759 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.31 149.17 22.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.53 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -120.53 135.96 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -133.58 111.55 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.542 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.09 130.81 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER -151.01 161.62 42.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.08 38.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.06 -58.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.377 1.048 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.9 71.4 0.57 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.73 114.24 18.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -25.16 35.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.71 80.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -35.83 78.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.583 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 60.3 t -61.08 -47.7 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -72.02 -31.28 66.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.36 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 5.6 ttmm -61.11 -55.28 34.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.41 ' O ' ' HB1' ' A' ' 104' ' ' ALA . . . -73.55 -49.02 28.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.583 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.13 -28.02 23.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.0 -21.42 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 10.5 tt -67.21 -22.21 65.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.84 -21.69 0.7 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.438 ' HB3' ' HB2' ' A' ' 70' ' ' LEU . . . -54.7 143.36 25.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 80' ' ' LYS . 22.7 t30 -80.53 -36.11 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -171.86 126.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 0.4 OUTLIER -126.19 112.25 29.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 2.9 mt -130.31 151.02 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.675 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -109.72 147.46 33.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.481 ' CE ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.84 106.95 4.98 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 109.362 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.675 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.3 Cg_endo -75.12 158.24 41.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.963 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -73.12 -2.42 21.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.5 m -116.26 143.07 46.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 110.399 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.526 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 2.5 pt -72.05 -25.24 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -65.09 -42.92 93.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 111' ' ' PRO . 1.3 mtpp -74.54 -44.41 51.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.565 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 3.9 tpp -67.34 -38.87 85.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 4.6 tttm -70.83 -32.35 69.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.33 -46.74 31.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.76 72.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.514 ' CG1' ' O ' ' A' ' 117' ' ' MET . 2.0 pp -61.26 -45.84 97.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -56.29 -27.05 54.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.76 -40.95 14.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.513 ' CG2' ' CB ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -62.45 -30.56 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.479 ' N ' HG13 ' A' ' 124' ' ' VAL . 1.2 m-85 -87.72 -61.06 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -58.4 -58.12 16.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.75 65.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.753 . . . . 0.0 109.329 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -93.96 126.96 39.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.229 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtp . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.477 0.18 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.18 -41.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.031 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.461 ' HG ' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -146.65 108.49 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.54 -36.23 64.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.495 ' C ' ' N ' ' A' ' 7' ' ' ILE . 10.7 mt-10 -92.85 -45.81 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.87 26.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.495 ' N ' ' C ' ' A' ' 5' ' ' GLU . 2.6 tp -123.37 91.36 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.67 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -125.02 138.11 54.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.6 ' O ' ' O ' ' A' ' 33' ' ' GLN . 8.3 t -102.09 127.7 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.758 HD22 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -109.34 117.03 32.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.199 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.53 ' CD1' ' O ' ' A' ' 11' ' ' ILE . 1.5 pp -134.7 109.65 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.4 p -133.26 129.21 56.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.546 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 2.6 m-20 -139.18 143.41 38.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.463 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 3.2 t70 -53.98 -50.32 66.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.12 142.55 28.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 3.3 t -70.32 -43.05 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.07 -36.24 70.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 110.353 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.469 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.3 m -72.39 -57.21 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.546 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.76 -29.21 70.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -72.54 -44.3 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.3 mt -58.55 -57.01 14.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -55.36 -49.94 70.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.06 -29.34 74.07 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' LEU . 15.0 t70 -77.03 -47.85 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.403 ' CB ' ' CE ' ' A' ' 117' ' ' MET . . . -59.19 -48.28 82.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.382 1.051 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 29' ' ' LEU . 2.3 mm? -71.22 -26.89 63.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.591 1.182 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.606 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.2 mm-40 -61.17 -48.86 79.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.54 -12.65 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -95.67 -13.41 24.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.623 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 68.31 33.72 78.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.702 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.73 -103.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.991 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -163.85 -53.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.6 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.55 124.41 5.03 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.702 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.3 112.44 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.758 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.98 116.31 22.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.36 140.64 52.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -150.9 129.81 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.63 -88.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -148.9 -172.74 4.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 0.801 . . . . 0.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.6 -43.49 2.24 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 4.1 mt-10 -65.67 -56.93 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.725 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.513 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -61.0 -43.87 98.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.226 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 47' ' ' MET . . . -68.48 -25.9 74.61 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -48.93 55.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 0.81 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -70.43 -41.73 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 46' ' ' ILE . 1.7 mp -66.8 -32.29 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.692 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 32.3 ttp -79.37 -46.45 17.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.2 93.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.3 mm100 -52.13 -19.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.637 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.48 -174.56 0.41 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.637 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.09 149.6 36.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.692 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 49.7 p-80 -166.18 155.76 11.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.67 ' N ' ' O ' ' A' ' 8' ' ' LYS . 9.1 t60 -147.45 12.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.537 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.553 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -156.31 135.82 12.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.757 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 26.2 t -133.68 97.14 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.513 ' HB ' ' CG2' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -115.46 133.46 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 t -142.71 170.16 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.428 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -97.23 -174.3 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.536 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -113.2 17.59 18.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.463 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -58.55 -81.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.676 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 16.9 ptm -159.24 48.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.676 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.02 137.58 21.85 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.434 1.755 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 37.9 mmtt -76.81 -19.71 57.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.484 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.9 OUTLIER -135.49 83.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.0 t70 -78.37 172.9 12.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' HA3' ' CG2' ' A' ' 86' ' ' ILE . . . -35.54 -57.9 0.92 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' O ' HD13 ' A' ' 70' ' ' LEU . 2.5 mt -57.25 -43.83 83.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 0.741 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.73 -40.82 72.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.502 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -64.93 -42.14 94.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.586 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -56.81 -44.59 82.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.443 ' N ' HD11 ' A' ' 70' ' ' LEU . 9.8 mt-30 -62.82 -35.58 80.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.22 -44.94 71.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.692 HG22 ' N ' ' A' ' 74' ' ' ARG . 1.8 m -55.86 -36.87 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.077 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.692 ' N ' HG22 ' A' ' 73' ' ' VAL . 15.7 mtm180 -59.93 -18.49 45.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.51 -21.71 13.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -133.7 113.38 12.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.99 -5.57 16.96 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.64 -25.21 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.508 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . 11.7 t -113.9 6.44 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -70.57 -13.34 62.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 8.14 30.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.99 124.99 42.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.553 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.62 121.16 31.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.757 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.57 148.65 23.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.641 HG13 ' CB ' ' A' ' 108' ' ' LEU . 0.2 OUTLIER -119.1 137.32 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.441 ' CG2' ' HA3' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -132.69 113.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.579 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.59 128.74 41.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.462 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.6 OUTLIER -152.83 161.98 41.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.148 . . . . 0.0 110.374 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.49 38.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.37 -59.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 43.18 74.04 0.21 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.9 124.53 39.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -55.13 -26.84 41.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.61 80.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -35.56 81.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.577 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 62.0 t -60.75 -47.84 91.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.27 -29.73 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 24.4 ttmt -61.11 -56.38 21.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.58 -47.92 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.52 -28.04 29.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -94.88 -22.9 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -65.75 -21.64 66.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.56 -20.13 2.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.412 ' N ' HD23 ' A' ' 70' ' ' LEU . . . -45.6 140.95 3.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 12.7 t30 -70.7 -42.79 70.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 83' ' ' ALA . 1.5 t-20 -171.79 126.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.545 ' CG1' ' CG1' ' A' ' 96' ' ' VAL . 9.9 p -113.94 116.21 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.641 ' CB ' HG13 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -115.97 156.42 26.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.654 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -108.77 160.01 16.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.23 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.568 ' CD ' ' CG2' ' A' ' 85' ' ' ILE . 23.1 mtpt -109.51 79.75 1.39 Allowed Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.654 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.2 Cg_endo -75.0 157.45 42.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -80.61 -6.51 58.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.11 142.93 31.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.0 pt -71.67 -26.21 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.45 -44.66 86.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.44 ' HB2' ' CG ' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -74.8 -45.2 45.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.442 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 1.9 ttt -64.95 -41.13 95.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 11.9 ttpt -69.05 -31.56 70.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.58 -44.54 57.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.484 ' O ' HD23 ' A' ' 108' ' ' LEU . . . -56.88 -53.65 55.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 118' ' ' LYS . 1.0 OUTLIER -56.97 -43.93 81.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.68 -28.09 60.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.347 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.17 -45.6 13.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.607 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -56.59 -35.97 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.468 ' N ' HG12 ' A' ' 124' ' ' VAL . 19.1 m-85 -82.94 -49.85 9.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -63.28 -71.42 0.84 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.565 1.166 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.68 60.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 0.805 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -94.16 127.24 39.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.37 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.521 0.2 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.79 -45.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.5 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -141.73 118.09 10.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.7 -41.32 70.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.495 ' C ' ' N ' ' A' ' 7' ' ' ILE . 10.1 mt-10 -90.63 -46.48 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.163 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 41.79 24.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.495 ' N ' ' C ' ' A' ' 5' ' ' GLU . 2.6 tp -123.49 91.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -125.08 139.97 53.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' A' ' 33' ' ' GLN . 9.1 t -105.2 127.63 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.773 HD21 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -109.95 117.46 33.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.521 ' N ' HD21 ' A' ' 10' ' ' LEU . 1.7 pp -135.44 110.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.3 p -132.43 129.69 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.554 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 1.8 m-20 -139.33 144.02 38.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.54 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.7 t70 -55.28 -51.12 67.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.74 142.83 28.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.349 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.6 t -69.76 -42.11 80.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.1 -35.18 71.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.478 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.69 -56.99 4.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.554 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -63.61 -29.39 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.409 1.068 . . . . 0.0 110.261 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -72.05 -43.62 64.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.73 -56.96 15.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.519 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -55.87 -50.41 70.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.233 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -62.14 -30.97 77.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 12.5 t70 -75.79 -48.11 23.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.72 82.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mp -71.39 -26.59 62.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -59.71 -51.0 71.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.52 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -63.0 -12.44 25.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -98.05 -14.92 20.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.629 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.31 35.98 88.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.723 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.26 -104.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.966 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.452 ' HG2' ' CG1' ' A' ' 7' ' ' ILE . 9.7 tptt -164.3 -53.94 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.633 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 47.1 tp60 -156.42 122.7 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.723 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -95.32 112.55 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.773 ' O ' HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -124.67 116.75 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.09 141.24 52.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.34 130.83 14.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.74 -91.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.02 -172.12 3.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.46 -44.54 2.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 9.4 mt-10 -66.39 -56.11 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.538 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.73 -46.4 90.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -67.18 -25.65 73.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.497 ' SD ' ' CB ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -69.33 -51.82 33.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 2.5 pttt -69.74 -30.45 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -72.9 -36.91 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -76.43 -46.63 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.415 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.37 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.237 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 5.4 mm-40 -52.04 -20.0 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.61 -174.83 0.43 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.1 152.82 40.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.569 1.826 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.652 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 19.0 p-80 -170.82 157.82 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.652 ' N ' ' O ' ' A' ' 8' ' ' LYS . 50.8 t-80 -146.08 14.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.647 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.519 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -156.16 133.0 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.756 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 21.9 t -132.35 94.85 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.438 ' CD1' HD23 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -113.56 137.52 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 t -144.27 170.85 15.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -99.14 -173.77 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -116.39 16.65 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.54 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -57.92 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.067 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.666 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 3.9 ptm -158.72 49.68 0.34 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.666 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -74.95 138.5 23.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.472 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 18.9 mmtt -76.02 -20.23 57.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.498 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 2.5 tpt -136.23 84.66 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.4 t70 -76.25 172.99 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.75 -56.77 0.79 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.418 1.074 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.42 ' O ' HD13 ' A' ' 70' ' ' LEU . 2.5 mt -56.87 -44.94 82.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -58.15 -39.79 92.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.571 ' CD1' ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -65.3 -45.03 85.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.617 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -58.11 -43.38 87.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.464 ' N ' HD11 ' A' ' 70' ' ' LEU . 3.2 mt-30 -59.87 -36.0 75.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' CB ' ' SD ' ' A' ' 44' ' ' MET . . . -68.54 -45.31 72.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.7 HG21 ' N ' ' A' ' 74' ' ' ARG . 2.1 m -55.58 -36.41 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.7 ' N ' HG21 ' A' ' 73' ' ' VAL . 7.7 mtm180 -59.62 -20.3 54.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.1 -23.32 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -132.42 113.43 14.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.472 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.96 -6.01 17.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.552 1.817 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.54 -30.8 67.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.503 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 15.0 t -105.78 6.93 32.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -77.32 -7.0 55.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.362 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.1 9.02 30.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.587 ' HB1' ' CD2' ' A' ' 52' ' ' HIS . . . -104.68 128.08 52.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.28 122.29 32.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.756 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.86 148.47 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.576 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.79 135.66 60.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.616 ' CD1' ' CG2' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -135.18 112.84 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.564 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -96.42 130.22 43.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.466 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.3 OUTLIER -151.64 161.48 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.88 38.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.466 ' H ' ' C ' ' A' ' 88' ' ' THR . 3.0 mp0 -124.66 -59.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.19 74.39 0.21 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.134 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.31 120.61 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -25.47 37.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.66 80.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -35.76 80.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.581 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 60.9 t -61.39 -47.4 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.566 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 6.6 tt0 -72.02 -30.56 65.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 3.9 ttpp -62.38 -55.16 30.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.3 -48.54 33.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.72 -28.0 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -94.76 -22.43 18.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 102' ' ' LEU . 1.3 tm? -66.4 -21.48 66.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.93 -19.19 2.35 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.447 ' N ' HD22 ' A' ' 70' ' ' LEU . . . -48.96 139.0 10.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 27.4 t30 -74.96 -38.37 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -171.76 125.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.616 ' CG2' ' CD1' ' A' ' 86' ' ' ILE . 9.8 p -125.14 112.52 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.539 ' CD1' ' CG2' ' A' ' 124' ' ' VAL . 0.2 OUTLIER -128.64 138.06 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.654 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -99.06 150.38 22.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.432 ' NZ ' HD21 ' A' ' 22' ' ' LEU . 12.7 mtpt -74.3 107.25 3.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.654 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.4 Cg_endo -74.96 158.72 42.19 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -80.05 -3.55 49.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.5 m -116.62 144.27 44.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.52 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 2.7 pt -71.19 -24.67 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.367 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -44.33 79.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -75.84 -37.34 59.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.617 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 0.4 OUTLIER -73.09 -38.64 66.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 37.2 tttm -71.61 -33.13 68.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.31 -46.07 24.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.93 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.541 ' CG1' ' O ' ' A' ' 117' ' ' MET . 2.3 pp -61.02 -46.69 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -57.16 -26.46 60.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.56 15.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.539 ' CG2' ' CD1' ' A' ' 108' ' ' LEU . 0.4 OUTLIER -61.41 -30.71 48.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.51 ' N ' HG11 ' A' ' 124' ' ' VAL . 1.5 m-85 -86.05 -53.04 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -63.6 -66.13 2.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.495 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.07 67.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -89.61 126.97 35.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.2 mtp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.529 0.204 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.5 -33.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -145.47 117.51 8.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.08 -39.66 69.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 7' ' ' ILE . 17.6 mt-10 -90.35 -45.3 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.15 27.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' A' ' 5' ' ' GLU . 4.0 tp -121.4 91.34 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.77 141.36 51.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.29 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.611 ' HB ' ' O ' ' A' ' 33' ' ' GLN . 11.9 t -101.83 127.36 55.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.731 HD22 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -109.82 117.18 33.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.532 ' HB ' ' CD1' ' A' ' 22' ' ' LEU . 9.2 pt -136.37 110.95 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.0 p -132.94 130.99 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.572 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 1.2 m-20 -139.37 144.21 38.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.484 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.3 t70 -54.36 -48.1 71.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.14 141.52 28.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.255 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.536 ' HA ' ' HG3' ' A' ' 19' ' ' ARG . 2.5 t -68.82 -40.86 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -34.96 66.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.533 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.3 m -73.05 -57.67 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.572 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.01 -29.55 70.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.332 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -72.81 -44.52 61.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.39 -57.12 13.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -56.76 -50.01 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -62.34 -30.77 77.12 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.438 1.086 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 25.8 t0 -75.45 -47.89 25.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 0.824 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.88 83.12 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.67 -25.93 62.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.554 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -59.82 -50.85 72.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.512 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -61.76 -12.83 18.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 110.335 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -97.42 -14.66 21.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.61 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 66.92 35.18 89.14 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.712 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.32 -103.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.955 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -162.89 -54.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.611 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -157.95 125.33 5.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.712 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.33 111.47 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.731 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.33 116.54 23.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.72 140.35 52.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.62 130.85 14.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.77 -88.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -147.43 -172.01 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 0.793 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.21 -44.19 3.73 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.3 mt-10 -67.48 -55.01 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.489 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.76 -43.43 94.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 47' ' ' MET . . . -72.09 -23.96 77.2 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.594 1.184 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 7.9 tpt -68.2 -50.63 53.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.511 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -68.87 -42.08 77.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.511 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -65.18 -33.07 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.661 ' SD ' ' CD2' ' A' ' 52' ' ' HIS . 31.4 ttp -77.88 -46.5 21.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.09 -44.3 92.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.36 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.9 mm100 -50.17 -20.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.639 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.75 -174.55 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.0 150.14 37.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.91 ' HE2' ' CB ' ' A' ' 79' ' ' THR . 55.0 p-80 -165.78 155.55 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.544 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.633 ' N ' ' O ' ' A' ' 8' ' ' LYS . 43.2 t-80 -146.5 13.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.612 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.521 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -156.36 134.69 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.343 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.771 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 21.4 t -133.73 94.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.49 ' HB ' ' CG2' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -113.4 137.43 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.48 170.61 15.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.32 -174.18 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -113.86 16.03 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -57.96 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.667 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -159.29 48.99 0.29 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.04 138.96 23.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 40.8 mmtt -76.09 -19.74 58.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.456 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -135.74 78.88 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' GLY . 46.8 t0 -76.37 175.86 8.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -31.84 -62.16 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 mt -57.61 -45.61 85.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.64 -41.22 73.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.508 ' CD1' HG12 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -65.25 -41.8 93.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.594 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.59 -44.93 93.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' N ' HD11 ' A' ' 70' ' ' LEU . 4.7 mt-30 -60.59 -35.79 76.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.12 73.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.701 HG21 ' N ' ' A' ' 74' ' ' ARG . 2.1 m -55.91 -36.68 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.701 ' N ' HG21 ' A' ' 73' ' ' VAL . 10.0 mtm180 -60.01 -19.14 51.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.9 -22.73 13.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -129.33 113.32 18.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.477 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.2 -35.21 66.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.91 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . 15.3 t -102.16 6.46 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -73.35 -11.72 60.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -107.44 8.09 29.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.24 128.75 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.58 121.73 32.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.771 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.84 148.76 22.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.577 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.78 136.53 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.171 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 tt -134.36 111.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.555 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.61 129.62 42.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.476 ' C ' ' H ' ' A' ' 90' ' ' GLN . 5.7 t -151.92 162.73 40.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.05 38.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 2.7 mp0 -125.34 -60.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.14 72.28 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.558 1.161 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.58 120.79 31.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 0.779 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -55.59 -25.93 41.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.69 80.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -35.51 79.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.6 t -61.29 -47.63 92.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.26 -29.13 63.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 1.3 ttpt -61.86 -55.92 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.04 -47.92 33.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.54 -27.79 27.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.41 -20.56 17.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.0 tp -66.11 -22.52 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.27 -19.17 1.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.45 ' N ' HD22 ' A' ' 70' ' ' LEU . . . -48.18 154.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.733 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 37.9 t30 -85.63 -42.62 14.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -170.38 126.82 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.501 ' CG1' ' CG1' ' A' ' 96' ' ' VAL . 7.1 p -120.71 113.7 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.491 ' HB2' HG12 ' A' ' 85' ' ' ILE . 3.1 mm? -122.68 152.54 40.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.524 ' C ' ' HD3' ' A' ' 111' ' ' PRO . . . -104.39 152.42 22.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.446 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -115.15 75.86 4.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.524 ' HD3' ' C ' ' A' ' 109' ' ' ALA . 18.3 Cg_endo -75.02 157.43 42.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.17 -8.67 32.94 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.426 1.078 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.66 139.87 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 110.415 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.571 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.8 pt -74.63 -27.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -50.0 67.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.421 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . 5.7 mmtt -76.31 -40.04 52.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.49 ' O ' ' CG1' ' A' ' 121' ' ' ILE . 1.3 tmt? -65.84 -41.98 91.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.571 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 33.8 ttpt -68.55 -33.44 74.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.49 -47.58 47.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.401 ' O ' ' HG ' ' A' ' 108' ' ' LEU . . . -57.31 -52.41 65.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.515 ' CG1' ' HA ' ' A' ' 118' ' ' LYS . 1.8 pp -60.82 -44.62 97.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.221 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.97 -26.67 49.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.31 -45.08 10.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.503 ' CG2' ' HB2' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -59.62 -32.09 48.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.454 ' N ' HG11 ' A' ' 124' ' ' VAL . 1.8 m-85 -85.57 -54.16 4.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.049 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -61.43 -67.32 2.17 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.83 66.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -95.24 127.18 41.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.3 mtp . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.48 0.181 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.15 -35.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.949 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.52 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -146.93 118.34 7.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.238 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.75 -40.69 72.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.233 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' C ' ' N ' ' A' ' 7' ' ' ILE . 14.6 mt-10 -90.35 -45.33 9.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.34 27.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.496 ' N ' ' C ' ' A' ' 5' ' ' GLU . 3.2 tp -121.97 89.59 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.39 1.056 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -124.8 138.2 54.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.638 ' O ' ' O ' ' A' ' 33' ' ' GLN . 13.7 t -102.46 126.8 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -108.66 116.98 33.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.575 ' HB ' ' CD1' ' A' ' 22' ' ' LEU . 9.3 pt -136.15 111.07 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 37' ' ' ALA . 8.4 p -132.73 132.62 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.501 ' OD2' ' CD2' ' A' ' 22' ' ' LEU . 2.1 m-20 -138.21 145.06 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.534 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.5 t0 -57.5 -33.77 68.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.89 143.9 33.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.191 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.537 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 t -69.81 -41.27 79.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.4 -35.81 68.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.492 ' C ' HD23 ' A' ' 22' ' ' LEU . 1.4 m -72.36 -58.22 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.537 ' CG ' ' HA ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -61.3 -30.41 70.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.3 tt -71.43 -43.33 66.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.72 -57.22 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.575 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -56.78 -49.6 74.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.36 -29.68 75.26 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.471 1.107 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 39.1 t70 -75.86 -47.87 23.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 0.809 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' CB ' ' CE ' ' A' ' 117' ' ' MET . . . -59.22 -48.42 81.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.47 -25.96 62.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.623 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.6 mm-40 -61.07 -49.42 77.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -13.09 26.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.63 -13.5 24.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.211 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.618 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 68.66 34.99 79.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.691 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.35 -103.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 111.042 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HG2' ' CG1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -163.91 -53.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.638 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.09 124.33 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.691 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.3 111.0 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.743 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.68 117.07 24.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 0.0 110.414 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.74 140.97 52.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.65 131.13 14.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.81 -89.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.76 -172.46 3.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.33 -44.77 3.12 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 16.1 mt-10 -67.25 -55.01 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.53 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 1.9 tt0 -59.74 -43.27 94.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 47' ' ' MET . . . -72.44 -23.67 77.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 9.0 tpt -69.0 -48.63 62.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.782 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -70.62 -39.93 73.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.53 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -67.26 -33.42 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.683 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 28.9 ttp -77.62 -46.79 21.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.88 92.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 6.0 mm-40 -51.42 -20.09 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.639 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.03 -174.26 0.4 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.03 149.93 37.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.959 ' HE2' ' CB ' ' A' ' 79' ' ' THR . 56.0 p-80 -166.34 156.48 12.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.587 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.679 ' N ' ' O ' ' A' ' 8' ' ' LYS . 40.0 t-80 -146.91 12.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -156.08 136.16 12.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.792 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 21.3 t -133.66 95.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.524 ' HB ' ' CG2' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -114.61 136.77 50.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.35 170.53 15.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.955 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD1' HD11 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -97.87 -173.46 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -115.21 16.97 16.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.029 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.534 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -59.25 -82.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.677 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 6.4 mtt -156.76 48.54 0.34 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.677 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -75.0 138.15 22.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.445 1.761 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.495 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 29.6 mmtt -76.34 -19.52 58.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 1.9 tpt -135.79 80.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.6 t70 -75.78 173.46 11.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.95 -58.63 0.47 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.7 mt -57.86 -45.71 85.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.63 0.841 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -56.5 -42.52 90.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.553 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 1.5 mt -64.28 -39.88 94.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 0.777 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.571 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -59.74 -48.94 79.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -57.56 -35.37 70.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.6 -45.72 74.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.701 HG23 ' N ' ' A' ' 74' ' ' ARG . 2.2 m -56.01 -36.51 44.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.701 ' N ' HG23 ' A' ' 73' ' ' VAL . 47.7 mtp180 -60.65 -19.9 59.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.66 -21.82 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -128.53 112.83 19.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.493 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -74.93 -4.85 16.03 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.14 66.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.959 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . 15.1 t -101.93 6.51 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -71.78 -12.84 61.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.86 7.74 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.644 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -99.71 128.28 45.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.93 121.61 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.792 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.49 147.41 23.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.579 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -117.64 135.98 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -134.04 110.86 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.574 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.83 129.51 43.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.471 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.7 OUTLIER -152.42 162.14 41.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 38.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 88' ' ' THR . 3.4 mp0 -125.13 -59.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.15 74.48 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.1 123.65 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -55.59 -26.83 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.48 81.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.07 -35.87 81.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.232 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.59 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 60.7 t -61.74 -47.15 94.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.04 -30.48 65.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -62.04 -55.22 31.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.8 -48.24 32.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.66 -27.55 28.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.31 -20.75 17.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 20.0 tp -66.41 -22.31 66.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.94 -16.21 2.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.19 144.84 11.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 35.2 t30 -76.3 -42.12 46.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.78 126.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.244 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.477 ' CG1' ' CG1' ' A' ' 96' ' ' VAL . 7.2 p -117.76 113.6 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.352 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.471 ' CD2' ' CG2' ' A' ' 124' ' ' VAL . 1.4 mm? -118.67 153.08 34.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.557 ' C ' ' HD3' ' A' ' 111' ' ' PRO . . . -101.64 154.44 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -114.2 74.75 2.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.557 ' HD3' ' C ' ' A' ' 109' ' ' ALA . 18.5 Cg_endo -74.98 156.98 43.1 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 0.0 111.052 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -72.6 -9.13 58.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.56 141.71 28.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.407 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.569 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 5.6 pt -73.03 -27.28 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -48.36 74.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.42 ' HB3' ' HG3' ' A' ' 111' ' ' PRO . 64.9 mttt -75.55 -43.52 48.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.464 ' CE ' ' CB ' ' A' ' 25' ' ' ALA . 23.4 ttm -63.56 -42.53 98.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 16.3 tttm -67.85 -31.92 72.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.11 66.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.402 ' O ' ' HG ' ' A' ' 108' ' ' LEU . . . -57.03 -53.72 54.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.51 ' CG1' ' HA ' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -61.84 -41.39 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 118' ' ' LYS . 3.4 mt-10 -58.5 -24.67 61.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.3 -44.61 9.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.471 ' CG2' ' CD2' ' A' ' 108' ' ' LEU . 0.5 OUTLIER -60.28 -31.7 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.45 ' N ' HG11 ' A' ' 124' ' ' VAL . 19.1 m-85 -98.95 -48.22 4.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.7 -48.32 86.63 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -96.53 60.36 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 0.802 . . . . 0.0 109.239 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.553 HD23 ' CE1' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -77.36 127.0 31.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.242 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 mtp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.467 0.175 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.77 -16.53 57.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.56 105.34 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.58 60.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' C ' ' N ' ' A' ' 7' ' ' ILE . 13.8 mt-10 -93.39 -43.18 8.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 110.216 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.475 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER 39.23 29.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.537 HD13 ' CD2' ' A' ' 53' ' ' HIS . 2.0 tp -115.14 92.35 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.228 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.632 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.97 143.11 49.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.643 ' HB ' ' O ' ' A' ' 33' ' ' GLN . 11.6 t -101.78 125.15 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -108.2 116.35 31.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.502 ' N ' HD23 ' A' ' 10' ' ' LEU . 5.8 pt -136.3 110.25 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.8 p -131.8 132.48 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.536 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -139.23 144.16 38.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.548 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 2.4 t70 -54.22 -52.19 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.83 142.91 29.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.224 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.8 t -69.38 -41.59 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -35.01 69.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.482 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 1.1 m -73.46 -57.25 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.92 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.536 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.72 -29.17 70.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.608 1.193 . . . . 0.0 110.33 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -72.37 -44.26 62.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.8 mt -58.63 -56.56 20.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.5 ' CD1' ' HB ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.08 -49.61 73.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.4 -29.54 73.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 44.7 t0 -76.86 -48.64 17.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 0.725 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.75 -47.42 85.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.65 -27.07 62.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.606 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 1.9 mm-40 -59.69 -47.8 84.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -13.45 62.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -90.84 -11.51 39.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.356 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.585 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 64.06 26.45 70.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.792 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -18.6 -98.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 111.047 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -161.69 -57.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.421 1.076 . . . . 0.0 109.383 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.643 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -158.25 129.33 6.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.712 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -92.49 111.64 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.743 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -125.66 115.0 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.394 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.36 142.9 51.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -150.55 130.71 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.1 -89.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.5 -172.42 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.81 -44.36 2.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 63' ' ' LYS . 28.9 mm-40 -67.09 -55.85 12.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.535 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.5 -44.18 96.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -68.85 -26.06 74.85 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.5 tpt -68.71 -51.38 42.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.603 0.825 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -67.89 -34.46 76.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.535 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -70.4 -34.58 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.682 ' HG2' ' CG ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -77.74 -46.64 21.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.79 -42.6 99.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 2.0 mm100 -50.8 -20.22 1.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.649 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -138.75 -174.43 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.649 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.99 150.01 37.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.682 ' CG ' ' HG2' ' A' ' 47' ' ' MET . 43.8 p-80 -163.61 158.08 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.629 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.632 ' N ' ' O ' ' A' ' 8' ' ' LYS . 70.1 t60 -147.15 14.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.529 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -157.51 134.33 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.787 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 24.1 t -134.38 94.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.533 ' HB ' ' CG2' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -114.35 138.82 43.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.57 170.57 15.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' HB2' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -97.79 -173.48 2.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.445 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -116.26 17.68 15.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.548 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -60.35 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.689 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -156.75 47.79 0.31 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 111.056 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.96 139.07 23.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HB2' ' CG ' ' A' ' 41' ' ' GLU . 4.5 mmtp -76.19 -20.72 57.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.464 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.9 OUTLIER -136.55 83.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 111.012 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.8 t70 -76.94 172.75 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -33.16 -58.7 0.5 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.96 -45.87 86.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.55 -42.7 84.86 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.534 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 1.4 mt -64.35 -39.12 93.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.583 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -59.43 -48.18 82.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -30.12 70.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.22 -45.19 57.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.687 HG23 ' N ' ' A' ' 74' ' ' ARG . 2.2 m -56.02 -36.41 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.687 ' N ' HG23 ' A' ' 73' ' ' VAL . 29.0 mtp85 -60.12 -19.88 55.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.03 -24.4 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -125.25 113.21 26.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.08 -5.83 17.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.25 -32.44 61.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.65 ' CB ' ' HE2' ' A' ' 52' ' ' HIS . 5.9 t -104.91 6.71 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.16 -18.18 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.427 ' N ' ' HE3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -101.18 7.87 42.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.652 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.29 128.23 44.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -90.52 121.5 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.787 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.75 148.8 22.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -118.37 136.6 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.9 tp -133.3 110.95 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.57 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.02 130.38 41.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.464 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.7 OUTLIER -151.58 162.33 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.04 38.82 0.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' A' ' 88' ' ' THR . 2.4 mp0 -125.08 -59.84 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 46.48 72.15 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.55 121.92 31.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -26.86 37.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.11 83.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -36.13 82.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.9 t -61.46 -47.15 94.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.03 -30.87 65.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -60.96 -55.34 34.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.01 -47.53 36.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.22 -27.43 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -98.0 -20.17 17.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 3.4 tm? -66.8 -22.79 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.73 -19.67 1.82 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.61 144.28 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 0.819 . . . . 0.0 109.247 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 32.9 t30 -75.3 -43.13 52.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -167.22 126.04 1.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 t -118.15 113.1 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.527 ' HB2' HG13 ' A' ' 85' ' ' ILE . 1.4 mm? -118.77 152.52 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.367 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.515 ' C ' ' HD3' ' A' ' 111' ' ' PRO . . . -98.31 153.5 18.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.433 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 9.7 ttpt -114.48 76.29 3.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.515 ' HD3' ' C ' ' A' ' 109' ' ' ALA . 18.2 Cg_endo -75.04 157.45 42.61 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.568 1.825 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -69.71 -20.55 63.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.26 140.74 30.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.568 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.1 pt -72.82 -26.52 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.61 -47.5 78.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.412 ' HB3' ' HG3' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -75.76 -44.69 40.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.486 ' HE2' ' CG2' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 36.0 tttt -67.25 -35.31 79.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.23 78.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.48 -51.0 70.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 118' ' ' LYS . 24.0 pt -60.59 -43.73 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.89 -29.04 59.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.56 -44.93 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.492 ' CG2' ' CD2' ' A' ' 108' ' ' LEU . 0.4 OUTLIER -59.86 -31.29 47.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.617 1.198 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.474 ' N ' HG13 ' A' ' 124' ' ' VAL . 3.8 m-85 -84.16 -63.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.486 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -56.09 -60.83 8.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 34.13 65.24 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -95.1 127.02 40.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtp . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.487 0.184 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -20.26 42.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.526 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.26 104.95 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.19 -34.27 44.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 7' ' ' ILE . 3.7 mt-10 -92.82 -44.43 8.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.396 1.06 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER 38.47 30.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 5' ' ' GLU . 2.3 tp -118.85 91.63 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.61 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.04 142.28 50.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.574 ' HB ' ' O ' ' A' ' 33' ' ' GLN . 4.2 t -101.39 128.45 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -110.51 117.14 32.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.529 ' CD1' ' O ' ' A' ' 11' ' ' ILE . 1.4 pp -136.28 110.47 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -133.2 130.42 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.605 ' HB2' ' HB3' ' A' ' 19' ' ' ARG . 2.1 m-20 -140.96 143.42 34.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.473 ' CB ' ' CG ' ' A' ' 60' ' ' ASN . 9.9 t70 -55.35 -48.26 74.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.03 140.43 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.556 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.5 t -70.56 -41.39 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.26 -36.18 70.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.511 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 27.8 m -72.32 -56.9 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.37 -29.67 70.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' VAL . 4.2 tt -73.17 -44.18 60.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.09 -57.56 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.519 HD22 ' HA ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -57.09 -50.26 73.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -61.96 -30.61 75.88 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.1 t70 -75.64 -47.81 24.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.747 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.94 -44.99 83.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.87 -26.46 62.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.571 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.37 -49.86 75.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.502 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -65.68 -13.16 58.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -94.52 -12.89 26.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.587 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 65.4 29.33 74.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.763 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -18.67 -101.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 0.729 . . . . 0.0 111.03 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -162.1 -56.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.227 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.574 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -159.16 126.85 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.738 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.2 pt -94.28 113.36 28.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.225 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.779 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -124.26 116.05 22.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.53 142.02 51.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.573 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -150.43 129.74 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.393 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.6 -90.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.31 -172.17 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -40.76 -40.51 2.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 1.8 tt0 -69.41 -57.87 4.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.481 ' O ' HD13 ' A' ' 46' ' ' ILE . 4.3 tt0 -59.92 -43.93 94.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.472 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -69.88 -26.26 74.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.488 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 5.6 tpt -68.14 -52.7 31.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 0.804 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' CG ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -68.56 -33.46 74.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.491 ' N ' HD13 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -70.06 -34.7 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.642 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -77.87 -46.48 21.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.435 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -63.27 -41.73 99.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.3 mm-40 -52.53 -20.23 2.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.221 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.623 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -137.07 -175.87 0.52 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.03 148.97 35.9 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.642 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 20.4 p-80 -165.78 158.91 15.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 109.643 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.61 ' N ' ' O ' ' A' ' 8' ' ' LYS . 45.6 t-80 -147.06 15.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.588 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.501 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -156.93 131.89 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.774 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 21.6 t -133.38 94.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -114.5 137.69 47.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.3 t -144.94 171.02 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.473 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -97.96 -173.21 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.506 ' CE2' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -116.05 17.77 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.544 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -59.05 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.684 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -159.19 48.01 0.26 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.99 137.87 22.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . 44.9 mmtt -76.25 -19.52 58.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 3.5 tpp -136.05 81.56 1.89 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.7 t70 -77.49 175.33 9.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.51 -60.86 0.37 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.432 ' O ' HD11 ' A' ' 70' ' ' LEU . 1.8 mt -57.66 -45.7 85.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.6 -41.49 73.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.502 ' CD2' HG12 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -64.68 -43.27 94.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.584 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.39 -43.78 92.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.446 ' N ' HD11 ' A' ' 70' ' ' LEU . 8.8 mt-30 -59.66 -35.99 75.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.65 72.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.701 HG22 ' N ' ' A' ' 74' ' ' ARG . 2.0 m -55.64 -36.57 42.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.395 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.701 ' N ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.11 -20.62 55.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.8 -25.08 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.9 114.86 15.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.483 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -74.99 -5.7 17.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.16 -32.97 69.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.539 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 14.2 t -102.74 7.07 39.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -78.21 -6.69 55.66 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 8.34 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.576 ' HB1' ' CD2' ' A' ' 52' ' ' HIS . . . -103.65 129.1 50.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.501 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.59 121.0 31.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.774 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.0 149.99 21.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.06 . . . . 0.0 111.048 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -121.52 134.26 65.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.463 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 1.0 OUTLIER -132.04 113.1 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.536 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.4 130.67 42.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER -150.76 161.25 43.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.404 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.12 38.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -124.9 -58.73 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.248 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.83 71.65 0.48 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.55 119.47 28.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -25.61 34.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.44 -48.45 81.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.17 -35.63 80.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.1 t -61.17 -47.61 92.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.566 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.1 -30.02 64.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 14.4 ttmt -61.47 -55.79 27.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.67 -48.23 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.72 -27.61 29.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.79 -21.34 17.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -66.69 -22.06 66.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' C ' HD21 ' A' ' 70' ' ' LEU . . . 145.97 -20.75 1.78 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.436 ' N ' HD21 ' A' ' 70' ' ' LEU . . . -49.74 146.04 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 24.8 t30 -81.35 -36.67 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -172.41 127.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.36 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 12.8 p -128.32 111.97 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.384 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -131.07 153.21 49.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.633 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -109.9 152.81 25.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.479 ' HE3' ' CB ' ' A' ' 87' ' ' LEU . 23.8 mtmt -71.44 107.52 2.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.633 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.6 Cg_endo -74.85 158.16 42.93 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.571 1.827 . . . . 0.0 111.069 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.589 ' CD1' ' OG1' ' A' ' 113' ' ' THR . 30.8 p90 -81.83 -18.77 42.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.589 ' OG1' ' CD1' ' A' ' 112' ' ' PHE . 33.3 m -104.96 145.62 30.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.5 pt -69.42 -23.18 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.43 -42.77 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.427 ' HB3' ' CB ' ' A' ' 111' ' ' PRO . 0.4 OUTLIER -75.44 -38.95 59.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.57 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 3.6 ttp -72.67 -37.6 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 7.4 ttpt -73.19 -32.73 64.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.36 -46.24 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.11 -49.25 76.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 117' ' ' MET . 2.3 pp -62.44 -46.26 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -56.43 -25.72 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.27 -42.61 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.493 ' CG2' ' CB ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.54 -30.95 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.484 ' N ' HG11 ' A' ' 124' ' ' VAL . 0.9 OUTLIER -88.17 -51.72 5.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -64.96 -66.09 2.63 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.86 67.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -95.25 127.07 41.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 mtp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.549 0.214 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.27 -13.51 56.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.001 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.511 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.42 110.37 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.236 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.49 -36.52 55.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.473 ' C ' ' N ' ' A' ' 7' ' ' ILE . 9.7 mt-10 -91.89 -46.46 7.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' CA ' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.94 27.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.085 . . . . 0.0 109.363 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.473 ' N ' ' C ' ' A' ' 5' ' ' GLU . 2.8 tp -122.91 92.05 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.606 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.91 139.36 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.6 ' O ' ' O ' ' A' ' 33' ' ' GLN . 10.9 t -100.79 127.54 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.75 HD21 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -108.59 117.15 33.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.524 ' N ' HD21 ' A' ' 10' ' ' LEU . 1.4 pp -134.87 109.28 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 p -132.72 130.35 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.585 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . 2.2 m-20 -139.35 144.83 38.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.528 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 3.3 t70 -56.04 -47.57 77.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.422 ' NE2' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -89.9 143.27 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.8 t -70.05 -42.6 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.422 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -58.51 -35.62 72.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 110.367 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.46 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.2 m -71.79 -57.8 4.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.012 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.585 ' CB ' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -63.09 -29.62 70.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.08 -44.66 65.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 mt -58.37 -56.89 16.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.516 ' CD2' ' OD2' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.79 -49.96 71.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.43 -29.38 73.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' LEU . 55.0 t0 -76.6 -47.89 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' CB ' ' SD ' ' A' ' 117' ' ' MET . . . -59.44 -48.01 83.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.33 -26.25 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.614 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -61.49 -49.13 78.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.336 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -12.91 29.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -95.28 -12.99 25.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.616 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.38 33.27 81.56 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.707 ' CE2' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.71 -103.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 111.029 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 13.1 tptt -163.51 -54.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.6 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.64 124.49 5.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.707 ' CG2' ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.85 111.95 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.75 ' O ' HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.23 116.35 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.82 140.21 53.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' A' ' 39' ' ' ASP . . . -149.44 131.31 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.51 -89.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.21 -171.82 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.13 -43.93 3.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 12.8 mt-10 -67.72 -54.82 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.531 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.87 -44.3 94.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 47' ' ' MET . . . -71.63 -24.02 77.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.421 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 5.6 tpt -68.42 -49.13 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.776 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -70.68 -40.7 72.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.531 ' CD1' ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.09 -33.83 66.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.675 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 30.0 ttp -77.49 -46.24 23.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.056 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.14 91.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 4.0 mm-40 -50.84 -19.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.638 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.5 -174.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.068 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.638 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -75.04 150.38 37.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.847 ' NE2' ' HG1' ' A' ' 79' ' ' THR . 55.9 p-80 -166.47 155.8 11.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.549 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.606 ' N ' ' O ' ' A' ' 8' ' ' LYS . 50.0 t-80 -146.48 14.14 1.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.473 1.108 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.521 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -156.87 134.41 10.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.782 ' O ' ' HA ' ' A' ' 84' ' ' PHE . 21.9 t -133.57 95.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.501 ' HB ' ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -115.73 135.47 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.18 171.04 14.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.55 -173.56 2.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.451 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -115.49 15.46 16.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.528 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -57.15 -80.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.668 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -159.0 49.38 0.31 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.566 1.166 . . . . 0.0 111.049 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -74.93 138.93 23.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.499 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 11.8 mmtm -76.12 -19.52 58.44 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.488 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -138.01 83.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' GLY . 44.7 t0 -76.11 173.69 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.213 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.88 -60.91 0.4 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' O ' HD12 ' A' ' 70' ' ' LEU . 1.6 mt -57.11 -46.42 82.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -52.67 -44.79 60.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' CD1' HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -65.97 -38.17 87.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.624 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.14 -45.34 91.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.474 ' N ' HD12 ' A' ' 70' ' ' LEU . 36.9 mt-30 -61.34 -35.8 78.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.247 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.12 75.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.699 HG21 ' N ' ' A' ' 74' ' ' ARG . 2.2 m -55.79 -36.7 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.222 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.699 ' N ' HG21 ' A' ' 73' ' ' VAL . 7.0 mtm180 -59.51 -21.05 59.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.51 -24.93 14.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -125.97 113.43 24.32 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.508 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.03 -4.03 14.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.62 -36.37 68.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.847 ' HG1' ' NE2' ' A' ' 52' ' ' HIS . 10.4 t -102.94 7.32 39.23 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.587 1.179 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -71.92 -11.77 60.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 8.52 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.595 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.47 127.62 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.81 121.06 31.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.782 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.57 147.26 24.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.62 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -118.31 135.71 57.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 tt -132.54 111.64 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.582 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.51 128.97 41.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 90' ' ' GLN . 1.8 p -150.27 162.15 41.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.82 37.66 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.9 mp0 -125.16 -59.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.94 72.08 0.48 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.71 116.19 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -55.6 -24.62 34.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.98 79.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -35.9 80.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.573 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 49.0 t -61.51 -47.46 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -71.71 -30.45 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 11.0 ttmt -62.23 -55.66 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.408 ' O ' ' HB1' ' A' ' 104' ' ' ALA . . . -72.85 -49.18 31.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -52.83 -27.98 20.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.03 -20.15 18.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -66.47 -21.97 66.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.03 -15.85 1.53 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.488 ' N ' HD21 ' A' ' 70' ' ' LEU . . . -52.65 146.3 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 29.6 t30 -76.23 -40.9 50.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -170.21 126.53 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.6 t -113.52 116.64 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.738 ' CD2' ' HB ' ' A' ' 124' ' ' VAL . 0.7 OUTLIER -120.59 159.6 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.257 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.559 ' C ' ' HD3' ' A' ' 111' ' ' PRO . . . -111.56 153.92 25.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.431 ' CD ' ' O ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -114.1 75.05 2.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.234 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.559 ' HD3' ' C ' ' A' ' 109' ' ' ALA . 18.4 Cg_endo -74.98 157.62 42.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.481 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 17.7 t80 -71.29 -15.33 62.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.75 141.35 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.576 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 5.4 pt -72.83 -27.37 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.77 -47.25 75.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.42 ' CB ' ' CG ' ' A' ' 111' ' ' PRO . 0.8 OUTLIER -74.5 -43.29 56.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.436 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 13.6 ttm -65.54 -42.1 92.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 22.0 ttpt -66.54 -31.48 72.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.15 -45.91 72.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.573 ' O ' ' CD2' ' A' ' 108' ' ' LEU . . . -57.59 -57.12 14.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.224 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.538 ' CG1' ' HA ' ' A' ' 118' ' ' LYS . 0.7 OUTLIER -56.86 -38.85 61.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -62.83 -24.86 67.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.36 -42.91 13.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.738 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -56.44 -37.09 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.441 ' N ' HG11 ' A' ' 124' ' ' VAL . 10.8 m-85 -98.52 -58.0 2.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.393 1.058 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.42 -48.09 71.97 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -98.72 61.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.805 . . . . 0.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.572 HD23 ' CE1' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -69.44 126.78 30.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.852 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.3 tp -122.52 93.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.34 142.46 49.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.872 HG21 ' HB2' ' A' ' 31' ' ' PHE . 7.8 t -101.88 127.54 55.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.099 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.4 117.26 33.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.912 HD13 ' CD1' ' A' ' 22' ' ' LEU . 1.5 pp -135.1 108.95 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.716 HG21 ' O ' ' A' ' 37' ' ' ALA . 14.4 p -132.39 130.1 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.863 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.4 m-20 -139.41 144.28 38.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.522 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.6 t70 -57.53 -45.57 84.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.96 142.85 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.657 HG13 ' NH1' ' A' ' 19' ' ' ARG . 2.7 t -71.18 -42.42 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.59 -36.96 72.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.441 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 15.8 m -72.34 -56.89 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.657 ' NH1' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -62.45 -29.51 70.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.47 -43.83 65.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.8 mt -59.21 -56.73 18.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.912 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -55.64 -49.24 73.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.33 -29.59 74.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 30.6 t70 -76.47 -48.59 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.7 84.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.075 HD13 HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -70.93 -27.27 63.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.58 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.8 mm-40 -60.73 -47.9 84.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -68.34 -12.98 61.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.075 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -93.32 -12.55 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.585 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 65.26 29.21 74.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.226 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.1 -100.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.024 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.685 ' HG2' HG23 ' A' ' 7' ' ' ILE . 4.3 tptt -162.22 -56.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.79 126.99 5.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.226 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -94.27 112.36 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.674 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.05 115.83 22.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.19 140.82 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.716 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.28 129.69 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 34.14 -89.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.5 -171.23 3.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.7 -43.5 4.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.469 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.6 mt-10 -67.72 -56.1 10.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.516 ' O ' HD13 ' A' ' 46' ' ' ILE . 1.5 tt0 -59.59 -42.47 92.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.683 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.33 -24.17 76.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 7.0 tpt -69.45 -48.62 60.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.494 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.67 -41.67 71.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -65.71 -33.77 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.851 ' SD ' HG22 ' A' ' 55' ' ' VAL . 35.8 ttp -77.35 -46.75 21.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.46 88.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 13.6 mm-40 -49.81 -20.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.632 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -133.51 -175.03 0.44 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.95 149.74 37.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.673 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 56.2 p-80 -167.01 155.62 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.626 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.852 ' CB ' HD12 ' A' ' 7' ' ' ILE . 47.7 t-80 -147.2 14.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.671 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.07 134.85 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.099 HG13 ' CD1' ' A' ' 10' ' ' LEU . 26.3 t -134.18 96.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -115.87 134.77 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.62 170.83 15.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.95 -173.76 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -114.31 17.04 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.522 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.8 OUTLIER -57.33 -81.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.662 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -159.96 49.81 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.662 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.01 140.33 25.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.545 1.813 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.469 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 32.4 mmtt -75.7 -19.83 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.486 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -138.96 84.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 68' ' ' GLY . 28.6 t0 -76.03 176.49 7.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -33.91 -60.43 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.2 mt -56.69 -44.91 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.4 -43.02 76.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.986 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -65.16 -42.02 94.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.034 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.85 -45.13 86.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.718 ' N ' HD13 ' A' ' 70' ' ' LEU . 72.3 mt-30 -60.87 -35.59 76.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.2 -45.42 69.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.034 HG22 ' O ' ' A' ' 70' ' ' LEU . 1.8 m -55.58 -36.3 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -59.94 -20.06 55.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.38 -23.74 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.444 ' HB3' HG22 ' A' ' 79' ' ' THR . 6.0 t30 -127.99 113.5 20.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.06 -5.38 16.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.96 -34.22 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.643 HG23 HG12 ' A' ' 73' ' ' VAL . 8.5 t -104.08 7.29 36.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.389 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.543 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -73.4 -10.99 60.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -106.93 7.46 30.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.601 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.09 127.43 43.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.52 121.83 32.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.817 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.44 149.86 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -121.68 136.56 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -134.16 112.01 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.006 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.62 129.01 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.597 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -151.58 162.4 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.423 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.72 38.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.1 -59.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.8 73.73 0.25 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -126.67 118.23 24.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -21.88 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.8 -48.72 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -35.63 80.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.575 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 48.0 t -62.05 -47.14 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.15 -30.41 64.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.7 tttm -62.19 -55.27 30.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.26 -48.28 36.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.629 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.89 -27.83 32.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.43 -21.64 18.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.892 ' O ' HD13 ' A' ' 102' ' ' LEU . 2.4 tm? -66.88 -21.78 66.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.05 -19.71 1.76 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.629 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -49.63 145.78 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 30.2 t30 -77.86 -41.69 36.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.532 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.765 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.1 tp -120.61 92.01 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.16 143.23 49.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.98 HG21 ' HB2' ' A' ' 31' ' ' PHE . 16.5 t -102.16 124.99 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.066 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -107.7 117.62 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.968 HD13 ' CD1' ' A' ' 22' ' ' LEU . 1.6 pp -136.49 112.07 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.1 p -132.67 131.07 59.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.83 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.3 m-20 -139.38 143.84 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 2.1 t70 -56.21 -50.91 69.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.65 144.21 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.57 1.169 . . . . 0.0 110.218 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.463 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 3.3 t -70.64 -42.54 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.7 -36.09 69.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.454 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.446 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -72.28 -57.9 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.998 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.638 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.35 -29.06 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.602 1.188 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.4 tt -72.3 -43.22 64.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.49 -56.61 19.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.968 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -55.91 -50.69 70.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.82 -31.0 76.68 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.552 1.158 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 18.0 t70 -74.71 -48.56 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 0.728 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.83 -43.0 80.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.694 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 7.0 mp -72.68 -27.76 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.51 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -56.15 -49.82 72.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.1 mt-30 -66.03 -12.75 57.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.869 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -101.57 -19.97 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 60.87 37.39 93.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.11 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -21.52 -93.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 110.971 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG3' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -158.66 -57.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.359 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.612 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.01 129.27 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.11 HG23 ' CE2' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -93.66 111.1 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.677 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.08 115.27 21.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.96 143.33 50.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.849 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -151.28 130.36 12.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.62 -89.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -147.12 -173.34 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -38.32 -46.26 1.94 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 16.5 mt-10 -66.24 -55.46 16.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.922 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -60.02 -43.8 95.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.796 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -70.02 -26.25 74.56 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -67.1 -50.1 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 0.0 110.989 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -69.82 -32.98 71.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.922 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -71.44 -33.38 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.666 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 1.1 tmm? -79.6 -46.52 17.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.466 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.04 -41.54 98.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 1.5 mm100 -51.83 -20.21 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -139.12 -175.32 0.47 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.0 149.96 37.43 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.666 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 25.4 p-80 -164.68 157.34 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.634 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.765 ' CB ' HD12 ' A' ' 7' ' ' ILE . 29.6 t-80 -147.4 15.27 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.601 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.633 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -157.17 132.18 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.066 HG13 ' CD1' ' A' ' 10' ' ' LEU . 45.1 t -133.18 95.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.967 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -113.83 137.01 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.468 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.2 t -144.6 170.06 16.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.29 -173.34 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -114.91 17.47 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' C ' ' CG ' ' A' ' 61' ' ' MET . 0.4 OUTLIER -59.08 -81.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.666 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -157.85 49.28 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.951 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.666 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -74.97 136.42 20.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 15.1 mmtt -75.83 -19.55 58.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.486 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 1.2 tpt -135.49 81.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.694 ' OD1' HD13 ' A' ' 86' ' ' ILE . 28.3 t0 -77.16 173.97 11.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.27 -60.18 0.6 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.5 mt -56.83 -45.12 82.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 0.78 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.64 -42.24 66.86 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.998 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -63.76 -44.8 92.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 0.807 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.052 ' O ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -56.07 -41.62 75.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.679 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.0 mt-30 -63.49 -35.59 80.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.02 -45.41 63.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.23 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.002 HG12 HG23 ' A' ' 79' ' ' THR . 1.4 m -56.02 -36.58 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -60.38 -17.65 45.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.36 -22.73 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -133.38 114.32 13.47 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.424 1.077 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.573 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.04 -6.3 17.86 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.418 1.746 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.38 -26.76 63.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 1.002 HG23 HG12 ' A' ' 73' ' ' VAL . 14.2 t -111.26 6.9 20.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.573 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.66 -14.15 60.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.5 8.66 39.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.583 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.77 125.99 47.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.731 ' HB1' ' HB3' ' A' ' 106' ' ' ASN . . . -89.61 121.12 31.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.777 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.07 149.12 22.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.631 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -121.35 136.37 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.598 1.186 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.694 HD13 ' OD1' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -134.62 111.43 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.02 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.77 129.96 41.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.566 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -152.13 163.58 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 38.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.247 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' A' ' 88' ' ' THR . 2.5 mp0 -124.88 -60.2 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.51 72.39 0.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -125.41 118.68 26.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -55.25 -22.31 17.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.42 -48.54 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -35.68 78.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.573 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 54.1 t -62.03 -47.14 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.563 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -72.22 -30.21 64.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.0 ttmt -62.2 -54.76 36.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.92 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.27 -27.67 36.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.17 -23.24 17.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 25.0 tp -65.34 -22.59 66.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.78 -19.29 2.0 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -49.26 144.32 5.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 31.3 t30 -77.45 -40.2 44.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.731 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.9 t-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.634 HD12 ' CB ' ' A' ' 53' ' ' HIS . 3.1 tp -124.01 91.59 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.718 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -123.54 139.55 53.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.831 HG21 ' HB2' ' A' ' 31' ' ' PHE . 8.9 t -102.4 128.49 55.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.089 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.27 117.33 33.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.906 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.5 pp -135.23 110.31 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.367 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.795 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.6 p -132.82 129.45 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.887 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.2 m-20 -138.97 143.78 38.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.525 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.4 t70 -53.48 -50.8 64.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.28 143.55 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.7 t -69.99 -41.95 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -35.83 70.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.44 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -72.67 -57.46 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.58 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.67 -29.18 70.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -71.8 -43.77 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.23 -57.03 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.887 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.8 -49.22 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.82 -29.11 73.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' LEU . 63.0 t0 -76.45 -48.04 21.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.797 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.29 81.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.67 -26.49 62.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.623 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.85 -48.85 79.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.6 -13.08 38.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 110.337 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.621 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -95.35 -12.95 25.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.618 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.86 34.12 81.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.186 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.08 -103.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 0.738 . . . . 0.0 110.913 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.528 ' HG3' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -163.37 -54.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.64 124.33 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.168 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.186 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.4 112.19 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.676 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.27 116.45 23.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.28 140.58 52.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.795 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.59 130.38 14.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.05 -89.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.3 -171.1 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.5 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.98 -44.67 4.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.44 1.088 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.7 mt-10 -66.93 -55.1 16.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.835 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.68 -43.76 93.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.702 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.93 -24.19 76.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.609 ' HE3' ' HB2' ' A' ' 48' ' ' ALA . 7.3 tpt -67.85 -50.99 53.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.529 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.69 -39.92 76.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.835 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.64 -32.8 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.834 ' SD ' HG22 ' A' ' 55' ' ' VAL . 29.3 ttp -78.61 -46.64 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.609 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.6 -43.72 92.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 11.6 mm-40 -52.46 -19.72 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.635 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.3 -174.59 0.41 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.635 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.07 149.74 36.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.679 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 56.1 p-80 -166.81 155.48 10.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 109.531 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.718 ' N ' ' O ' ' A' ' 8' ' ' LYS . 50.3 t-80 -146.31 12.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.64 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.47 136.21 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.089 HG13 ' CD1' ' A' ' 10' ' ' LEU . 24.3 t -133.57 96.53 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.867 HD11 HD13 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -114.78 135.33 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.229 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.533 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -142.32 171.04 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.95 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 0.3 OUTLIER -100.37 -174.07 2.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -114.41 15.46 17.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.525 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -57.36 -81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 109.25 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.663 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 2.6 ptm -159.46 49.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.663 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -75.0 139.9 24.81 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.548 1.815 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 10.0 mmtm -75.59 -19.54 59.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.5 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -139.71 85.39 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' GLY . 25.0 t0 -76.39 174.74 9.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.76 -60.48 0.4 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 67' ' ' LEU . 1.5 mt -56.29 -45.73 80.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.77 -42.9 69.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.014 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -65.43 -40.03 92.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.253 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.038 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.11 -45.44 87.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.673 ' N ' HD13 ' A' ' 70' ' ' LEU . 20.7 mt-30 -61.34 -35.81 78.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.58 -45.06 73.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.038 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.1 m -56.03 -36.55 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -59.66 -19.99 53.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.13 -25.44 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.645 ' HB3' HG22 ' A' ' 79' ' ' THR . 10.8 t30 -125.64 114.11 25.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.237 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.504 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -75.02 -6.09 17.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.443 1.759 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.39 -33.05 62.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.645 HG22 ' HB3' ' A' ' 76' ' ' ASN . 5.1 t -104.25 6.73 35.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.063 . . . . 0.0 110.389 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.504 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.45 -16.4 61.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' N ' ' HE2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -102.39 8.49 40.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.598 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.17 126.62 42.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.58 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.22 122.68 32.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.82 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.37 148.05 24.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.618 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -117.75 136.42 54.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 tt -132.2 111.59 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.01 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.86 129.09 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.589 ' N ' HD22 ' A' ' 87' ' ' LEU . 2.6 t -151.75 162.61 40.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.84 38.24 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.42 -59.1 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.172 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.0 70.15 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.462 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -124.26 116.96 23.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -56.14 -24.38 40.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.61 81.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 92' ' ' ASP . 1.7 mp -67.96 -35.87 79.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.568 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 55.0 t -61.85 -47.28 93.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.564 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 7.6 tt0 -72.1 -29.96 64.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.6 tptt -61.05 -55.83 28.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.07 -48.52 29.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.742 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.16 -27.96 23.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.71 -21.29 17.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.244 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.7 tp -65.6 -22.43 66.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.86 -21.53 1.14 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.51 152.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 32.5 t30 -82.09 -50.52 8.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 2.0 m120 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.689 HG23 ' HG2' ' A' ' 32' ' ' LYS . 2.7 tp -125.45 93.18 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.684 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -124.29 142.21 51.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.82 HG21 ' HB2' ' A' ' 31' ' ' PHE . 10.2 t -104.54 128.56 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.13 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.86 117.41 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.907 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.6 pp -134.87 111.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.808 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.2 p -133.05 127.36 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.622 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.0 m-20 -139.46 142.78 37.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.555 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.3 t0 -56.02 -47.8 77.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -86.92 139.9 30.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 20' ' ' LEU . 3.0 t -69.92 -41.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.433 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -57.16 -36.01 70.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.362 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.514 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.17 -56.97 4.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.695 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.64 -28.45 69.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.345 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -73.33 -45.61 54.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 17' ' ' THR . 15.9 mt -59.8 -56.06 26.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.849 HD11 HD13 ' A' ' 11' ' ' ILE . 2.3 pp -56.38 -48.79 76.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.57 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -63.62 -29.62 75.2 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' LEU . 26.2 t0 -76.08 -48.02 22.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.09 82.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.398 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.31 -26.43 62.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.606 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -61.02 -49.02 79.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -13.24 56.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -93.91 -13.26 27.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.43 31.42 76.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.2 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -18.97 -102.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 111.017 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.689 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -162.92 -55.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.619 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -159.09 125.33 4.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.2 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.66 112.11 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.725 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -123.35 116.17 22.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.45 140.59 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 109.222 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.808 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.12 130.68 14.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.78 -90.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.565 1.165 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -146.08 -171.93 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.46 -44.97 3.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.3 mt-10 -66.38 -55.45 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.887 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -60.42 -45.11 94.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.248 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.728 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.9 -25.89 75.0 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.486 1.116 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.5 tpt -68.17 -50.71 52.66 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.467 0.745 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.527 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.89 -30.9 67.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -72.52 -35.51 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.657 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -77.93 -46.11 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.78 -42.79 99.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 6.4 mm-40 -53.96 -19.2 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.631 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.22 -174.86 0.43 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.631 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 152.57 40.96 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.768 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.657 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 17.1 p-80 -171.91 158.79 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.684 ' N ' ' O ' ' A' ' 8' ' ' LYS . 29.8 t-80 -147.45 14.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.533 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.551 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.13 133.23 10.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.13 HG13 ' CD1' ' A' ' 10' ' ' LEU . 27.4 t -132.42 94.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.778 HG12 HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -117.18 138.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.39 171.25 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.499 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -93.69 -172.9 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -117.71 17.03 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.555 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -57.48 -80.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.689 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 mtt -156.63 48.14 0.33 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.07 137.73 21.93 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 8.0 mmtt -76.68 -19.74 57.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.484 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -135.0 81.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLY . 24.9 t0 -76.0 173.1 11.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.506 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -33.5 -57.71 0.57 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 67' ' ' LEU . 1.8 mt -58.44 -45.78 87.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.24 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.3 -44.53 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.069 HD22 HG11 ' A' ' 55' ' ' VAL . 1.5 mt -62.94 -39.09 93.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.066 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -60.32 -48.84 80.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.79 -35.67 68.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.0 -46.11 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.066 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -56.15 -36.08 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.16 -19.62 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.259 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.16 -22.03 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -130.67 112.9 16.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.498 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -74.96 -5.8 17.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.786 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.89 -33.62 66.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 1.006 HG23 HG12 ' A' ' 73' ' ' VAL . 13.2 t -102.74 6.84 39.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -76.08 -7.45 54.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 8.53 29.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.631 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.62 128.7 50.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.68 121.01 31.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.826 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.34 149.87 21.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -122.57 134.93 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.456 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -131.22 113.13 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.352 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.007 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -93.7 130.75 39.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.627 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.2 t -151.25 161.92 41.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.8 38.27 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.0 OUTLIER -126.14 -59.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.96 72.22 0.41 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.437 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -127.07 122.08 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 94' ' ' ALA . 8.3 ptt180 -55.11 -26.54 38.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 93' ' ' ARG . . . -60.41 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -35.94 81.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.579 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 61.4 t -61.29 -47.87 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -71.71 -29.95 65.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -61.53 -55.93 25.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.83 -47.92 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.7 -27.51 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.24 -21.07 17.48 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.431 1.082 . . . . 0.0 109.246 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 36.3 tp -66.39 -22.56 66.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.0 -19.15 1.59 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.9 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -54.23 146.21 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.407 0.71 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 18.2 t30 -80.66 -37.14 31.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.499 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.1 m-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.806 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.0 tp -117.98 91.23 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.598 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.03 142.58 49.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' ' 31' ' ' PHE . 3.3 t -101.26 127.31 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.102 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.07 117.83 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.908 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.5 pp -136.61 111.06 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.857 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.5 p -132.59 130.84 59.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.824 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.8 m-20 -140.05 144.29 36.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CB ' ' CG ' ' A' ' 60' ' ' ASN . 3.8 t70 -58.56 -32.53 68.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -103.06 140.37 37.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.572 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.6 t -71.09 -41.32 76.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.41 -37.02 72.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.462 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.508 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.2 m -71.79 -57.26 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.944 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.04 -30.57 71.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 3.7 tt -71.04 -44.19 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.61 -57.06 12.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.971 HD13 HD11 ' A' ' 56' ' ' ILE . 1.9 pp -57.0 -47.36 81.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -66.05 -30.31 76.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 7.8 t0 -73.49 -48.41 33.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.59 -44.78 81.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -72.01 -25.97 62.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.579 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -61.2 -49.8 75.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.501 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -64.03 -12.39 37.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.825 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -96.43 -14.03 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.588 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 67.17 31.27 77.1 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.21 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.73 -101.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.771 . . . . 0.0 110.962 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -162.4 -56.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.584 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -158.91 126.99 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.21 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -95.76 112.47 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.676 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -122.65 117.04 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.87 140.9 52.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.857 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.99 130.54 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.06 -90.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -145.91 -171.97 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -40.77 -43.82 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.492 ' CG ' ' HB2' ' A' ' 63' ' ' LYS . 4.9 mm-40 -67.15 -55.46 14.08 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.505 0.768 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.579 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -60.34 -45.11 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.721 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -69.92 -25.12 75.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.429 1.081 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.477 ' SD ' HD11 ' A' ' 69' ' ' LEU . 5.1 tpt -68.41 -49.73 57.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.521 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 2.0 ptmt -70.87 -32.56 69.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.579 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.2 mp -72.49 -33.18 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -79.38 -46.97 16.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.28 99.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 4.8 mm-40 -51.53 -19.95 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -138.16 -175.36 0.47 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.01 149.53 36.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.654 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 23.3 p-80 -165.21 157.14 15.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.592 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.806 ' CB ' HD12 ' A' ' 7' ' ' ILE . 41.6 t-80 -146.9 15.36 1.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.508 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.775 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.55 133.16 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.102 HG13 ' CD1' ' A' ' 10' ' ' LEU . 22.7 t -134.13 94.18 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.971 HD11 HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -113.74 136.67 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.534 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -144.15 171.37 14.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.42 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -98.16 -173.52 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -114.03 17.44 17.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 111.051 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.494 ' CG ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -58.5 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.672 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -160.03 48.76 0.27 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.672 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.03 137.14 21.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.492 ' HB2' ' CG ' ' A' ' 41' ' ' GLU . 27.1 mmtt -76.18 -19.66 58.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.439 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -136.96 80.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' GLY . 43.6 t0 -77.62 177.62 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.53 -63.01 0.29 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.3 mt -57.68 -45.34 85.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 0.719 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -49.66 -46.83 38.43 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.593 1.183 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.018 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -64.34 -40.21 95.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.06 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.31 -45.36 84.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.715 ' N ' HD13 ' A' ' 70' ' ' LEU . 8.8 mt-30 -61.82 -35.91 79.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.67 -45.02 72.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.08 HG12 HG23 ' A' ' 79' ' ' THR . 2.0 m -55.56 -36.96 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.569 ' NH2' HD22 ' A' ' 102' ' ' LEU . 7.5 mtm180 -59.42 -19.16 45.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.67 -23.51 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -131.74 113.75 15.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.0 -4.32 15.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.42 1.748 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.5 -30.76 64.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 1.08 HG23 HG12 ' A' ' 73' ' ' VAL . 15.0 t -106.17 7.15 31.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.529 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.51 -16.49 60.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' N ' ' HE2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -100.64 8.64 43.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.504 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.65 126.32 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.643 ' HB1' ' HB3' ' A' ' 106' ' ' ASN . . . -89.66 121.24 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.787 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.51 150.09 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 111.048 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.638 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -122.04 136.27 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.3 tt -133.46 113.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.0 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.3 129.3 42.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.589 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.2 t -151.28 161.8 42.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.79 38.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.173 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -124.51 -59.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.09 71.81 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.454 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -122.61 111.14 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -55.41 -24.48 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.89 -48.64 79.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -35.13 78.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.582 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.3 t -61.42 -47.71 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -71.88 -30.97 65.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 3.6 ttmm -63.26 -54.91 29.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.53 -49.16 34.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.882 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.17 -28.89 28.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -92.06 -24.13 19.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.569 HD22 ' NH2' ' A' ' 74' ' ' ARG . 1.4 tt -66.35 -20.97 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.9 -25.1 0.92 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.882 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.73 140.95 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -79.67 -37.07 36.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.643 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.5 t-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.755 HG23 ' HG2' ' A' ' 32' ' ' LYS . 3.4 tp -124.95 92.73 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.674 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.64 141.09 52.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.825 HG21 ' HB2' ' A' ' 31' ' ' PHE . 4.7 t -103.41 128.89 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.088 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.23 117.38 33.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.905 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.2 pp -135.15 110.41 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 37' ' ' ALA . 13.8 p -133.56 130.62 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.854 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.9 m-20 -138.99 143.97 38.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.535 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.3 t70 -56.46 -34.51 66.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.16 141.65 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.56 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.8 t -70.02 -41.25 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.401 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -56.73 -36.35 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.482 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.11 -57.58 4.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.956 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.56 ' CG ' ' HA ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -61.96 -30.23 70.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 3.6 tt -71.55 -43.71 65.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 17' ' ' THR . 19.4 mt -63.32 -56.82 13.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.854 HD21 ' CG ' ' A' ' 13' ' ' ASP . 1.7 pp -58.24 -49.08 78.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -63.84 -30.54 78.01 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 6.9 t70 -74.41 -46.92 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.77 81.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.21 -25.47 61.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.581 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -60.63 -50.29 74.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -61.76 -13.0 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -96.39 -14.56 22.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.98 34.31 81.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.185 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.04 -103.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 111.019 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.755 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -162.92 -54.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.574 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.07 124.69 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.185 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.97 112.57 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.7 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -122.36 117.38 25.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 110.387 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.06 139.67 53.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.769 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.61 130.03 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.69 -89.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.555 1.159 . . . . 0.0 111.051 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.02 -171.87 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.18 -43.77 3.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 13.7 mt-10 -67.87 -55.6 12.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 0.792 . . . . 0.0 110.248 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.813 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -59.65 -42.76 93.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.708 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.23 -24.27 76.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.584 ' CE ' ' HB1' ' A' ' 72' ' ' ALA . 6.7 tpt -68.71 -49.97 54.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.81 -40.66 75.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.75 -33.15 61.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.862 ' SD ' HG22 ' A' ' 55' ' ' VAL . 33.2 ttp -77.94 -46.49 21.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.73 91.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.7 mm-40 -50.71 -19.97 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.646 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.05 -173.93 0.38 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.646 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.12 150.39 37.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.685 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 56.1 p-80 -168.64 155.01 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.682 ' CB ' HD12 ' A' ' 7' ' ' ILE . 58.7 t-80 -146.41 12.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.589 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.608 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -154.62 134.41 12.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.088 HG13 ' CD1' ' A' ' 10' ' ' LEU . 23.2 t -132.38 96.18 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.795 HD11 HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -116.08 136.09 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -143.86 170.88 15.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -96.99 -173.16 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -115.68 17.36 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.535 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -59.23 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.683 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 6.5 mtt -156.67 48.1 0.32 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.683 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.96 138.01 22.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.481 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 27.9 mmtt -75.95 -21.16 57.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.478 ' HE2' ' HB2' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -134.57 80.8 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.581 1.176 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 68' ' ' GLY . 29.4 t0 -77.32 176.2 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.961 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -31.72 -61.91 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.3 mt -57.12 -45.04 83.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -56.52 -41.69 89.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.961 HD12 ' HA2' ' A' ' 66' ' ' GLY . 1.2 mt -63.1 -41.26 99.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.082 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -59.17 -44.88 92.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.719 ' N ' HD13 ' A' ' 70' ' ' LEU . 80.4 mt-30 -59.47 -34.18 72.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.584 ' HB1' ' CE ' ' A' ' 44' ' ' MET . . . -68.42 -45.38 72.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.082 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.5 m -55.85 -36.57 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -20.67 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.28 -21.5 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -130.16 110.92 16.81 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.664 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.02 -5.0 16.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.29 -30.81 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.964 HG23 HG12 ' A' ' 73' ' ' VAL . 13.9 t -104.39 8.32 35.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.664 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -63.26 -22.8 67.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.02 8.2 41.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -92.19 122.43 34.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -90.21 121.63 32.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.817 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.95 150.6 21.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.564 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -122.41 134.79 64.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.368 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -131.16 113.59 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.026 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.07 129.32 42.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.608 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -151.51 161.4 42.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.434 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.7 38.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 2.3 mp0 -125.18 -58.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.17 71.33 0.5 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.562 1.164 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -125.86 119.18 27.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.42 -24.97 33.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.56 81.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.57 -35.29 78.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.576 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.2 t -61.36 -47.73 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.3 -30.77 65.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -59.96 -55.71 30.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.35 -48.47 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.27 -28.05 25.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.571 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.96 -22.57 17.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.855 ' O ' HD13 ' A' ' 102' ' ' LEU . 3.4 tm? -66.18 -21.18 66.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 148.25 -25.01 1.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.581 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -48.72 152.85 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 20.3 t30 -86.99 -39.78 15.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.734 HD12 ' CB ' ' A' ' 53' ' ' HIS . 3.6 tp -125.69 93.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.71 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -123.63 142.08 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.843 HG21 ' HB2' ' A' ' 31' ' ' PHE . 6.1 t -104.13 127.75 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.208 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.103 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.07 117.12 32.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.897 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.3 pp -135.62 110.29 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.855 HG21 ' O ' ' A' ' 37' ' ' ALA . 9.2 p -132.07 130.5 61.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.912 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.4 m-20 -139.27 143.71 38.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.553 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 6.2 t0 -54.16 -48.36 70.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -89.55 143.95 26.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' LEU . 2.9 t -70.62 -42.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -35.91 72.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.479 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 1.4 m -71.14 -57.36 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.094 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.91 -28.84 70.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.99 -44.17 63.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.22 -57.25 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.912 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.8 OUTLIER -56.84 -49.44 75.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -63.13 -30.43 77.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' LEU . 9.3 t70 -74.97 -47.46 29.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.22 83.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.028 HD13 HD23 ' A' ' 29' ' ' LEU . 2.3 mm? -71.47 -26.39 62.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.572 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -60.72 -50.2 74.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 110.228 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.505 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -62.13 -12.72 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.352 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.028 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -96.88 -14.43 21.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.622 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.54 34.35 83.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.175 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.24 -103.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.729 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -163.35 -53.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.583 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.6 124.41 4.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.175 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.32 112.77 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.705 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.55 116.77 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.37 140.62 52.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.377 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.855 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.28 130.91 14.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.08 -90.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -145.93 -171.89 3.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.59 -44.38 3.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 11.6 mt-10 -66.94 -55.66 13.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.894 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -60.29 -44.89 94.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.771 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.96 -26.07 74.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.496 ' SD ' ' CB ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -68.49 -52.39 32.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.773 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -67.99 -32.88 73.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.894 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -71.88 -34.42 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.645 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -78.06 -46.65 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.412 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -63.13 -42.16 99.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 24.9 mm-40 -54.37 -19.41 5.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.06 -174.69 0.42 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.07 152.44 40.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.645 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 15.7 p-80 -171.92 158.15 4.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 109.552 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.734 ' CB ' HD12 ' A' ' 7' ' ' ILE . 39.4 t-80 -146.76 13.99 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.612 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.604 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -155.98 133.94 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.103 HG13 ' CD1' ' A' ' 10' ' ' LEU . 22.5 t -132.39 94.64 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.675 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -114.23 138.08 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 4.5 t -144.29 170.99 14.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -97.15 -172.38 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -117.76 17.15 14.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.553 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -59.96 -80.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.689 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 5.6 mtt -156.44 47.98 0.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -74.99 136.83 20.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.48 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 15.8 mmtt -76.31 -20.11 57.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.376 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -134.31 81.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLY . 24.2 t0 -76.49 173.14 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.586 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -33.04 -58.49 0.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.2 mt -58.04 -45.29 87.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.97 -43.5 87.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.016 HD22 HG11 ' A' ' 55' ' ' VAL . 1.5 mt -64.5 -39.34 93.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.063 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -60.47 -48.84 80.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -57.23 -35.97 70.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.496 ' CB ' ' SD ' ' A' ' 44' ' ' MET . . . -67.16 -46.09 75.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.063 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -56.06 -36.4 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.226 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.423 ' CZ ' ' O ' ' A' ' 102' ' ' LEU . 7.8 mtt180 -60.71 -20.77 61.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.25 -21.94 14.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -129.6 112.74 17.81 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.514 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -74.99 -5.49 16.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.549 1.815 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.32 -34.75 65.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 1.009 HG23 HG12 ' A' ' 73' ' ' VAL . 13.3 t -101.48 6.12 42.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.347 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.49 -8.81 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.85 7.8 30.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.62 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.49 127.79 49.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.41 120.69 30.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.811 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.17 148.59 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.675 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -120.72 136.09 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -133.82 111.66 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.019 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.56 129.94 42.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.574 ' N ' HD22 ' A' ' 87' ' ' LEU . 3.8 t -151.88 161.82 42.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 110.464 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.4 39.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -126.04 -60.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.86 74.65 0.2 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -126.72 120.9 30.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.347 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -26.13 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.96 83.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.77 -35.75 79.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 58.8 t -61.12 -47.54 93.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 2.8 tt0 -72.03 -30.75 65.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.249 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -62.07 -55.08 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.39 -48.46 33.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.275 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.8 -27.82 31.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.3 -21.39 17.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.903 ' O ' HD13 ' A' ' 102' ' ' LEU . 3.2 tm? -66.82 -22.22 66.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.56 -17.57 2.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.9 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -53.89 144.45 18.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 14.8 t30 -81.18 -35.87 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.525 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.4 m-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.534 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.798 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.6 tp -109.64 90.41 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.97 143.9 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.857 HG21 ' HB2' ' A' ' 31' ' ' PHE . 11.4 t -102.52 125.43 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.091 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.09 116.06 31.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.864 ' N ' HD22 ' A' ' 10' ' ' LEU . 5.4 pt -136.08 110.32 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.832 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.3 p -131.34 132.5 62.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.865 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.7 m-20 -139.41 143.7 37.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.518 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -55.13 -50.7 68.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -85.69 142.94 28.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.55 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 t -69.65 -40.97 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.407 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -56.62 -34.78 67.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.399 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.498 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -73.42 -57.82 3.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.645 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.42 -30.69 70.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -71.33 -44.16 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 17' ' ' THR . 17.9 mt -59.95 -57.4 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.865 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.75 -49.79 72.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.55 -29.92 75.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' LEU . 29.8 t0 -76.72 -48.63 18.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.1 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.054 HD13 HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -71.32 -27.29 63.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.564 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 1.7 mm-40 -60.25 -47.77 84.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.275 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -13.1 62.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.054 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -92.68 -11.87 32.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.589 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 64.21 27.56 71.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.013 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.199 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -18.67 -99.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -161.04 -56.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.625 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.54 128.44 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.199 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -92.17 111.32 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.628 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -125.16 114.58 19.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -126.28 142.54 51.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.832 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.5 130.72 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.97 -89.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -146.26 -172.11 3.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.5 -44.58 3.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.489 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 12.0 mt-10 -67.64 -55.49 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.853 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.41 -42.74 92.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.762 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.98 -24.41 76.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.483 ' HG2' ' CE ' ' A' ' 64' ' ' MET . 2.9 tpt -68.69 -47.78 65.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -70.61 -38.84 74.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.853 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -67.53 -34.07 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.687 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -78.96 -45.21 20.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 0.0 110.959 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.14 95.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 2.7 mm100 -52.76 -19.79 2.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.25 -175.24 0.46 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.98 150.86 38.9 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.687 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 45.6 p-80 -165.49 156.61 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.626 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.798 ' CB ' HD12 ' A' ' 7' ' ' ILE . 44.0 t-80 -146.95 13.62 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.659 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -157.05 133.96 10.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.091 HG13 ' CD1' ' A' ' 10' ' ' LEU . 40.0 t -133.99 95.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.815 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.65 136.4 51.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -143.62 170.89 14.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.03 -173.8 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -114.17 17.79 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.518 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -59.17 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.681 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 2.2 mtm -157.47 48.77 0.33 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.06 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.681 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.01 138.88 23.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.431 1.753 . . . . 0.0 110.962 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.489 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 42.4 mmtt -77.02 -20.25 56.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.231 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.535 ' CE ' ' HB2' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -137.65 85.84 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 111.055 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.626 ' OD1' HD13 ' A' ' 86' ' ' ILE . 28.8 t0 -78.39 175.57 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.83 -59.77 0.69 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.5 mt -56.55 -44.33 80.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.21 -42.72 63.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.983 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -64.49 -41.93 96.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 109.268 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.057 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.25 -45.43 83.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.738 ' N ' HD13 ' A' ' 70' ' ' LEU . 4.5 mt-30 -61.33 -35.64 77.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.37 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.535 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -68.92 -44.56 72.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.081 HG12 HG23 ' A' ' 79' ' ' THR . 2.0 m -55.75 -36.66 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -60.16 -19.16 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.339 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.8 -20.79 13.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.624 1.203 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -133.06 112.87 13.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.372 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.586 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -4.93 16.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.557 1.82 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.88 66.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 1.081 HG23 HG12 ' A' ' 73' ' ' VAL . 13.4 t -106.16 7.66 31.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.586 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.9 -12.52 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 7.77 29.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.557 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.81 125.5 44.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.558 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.78 121.03 31.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.8 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.44 149.6 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.619 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -121.25 136.22 58.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.626 HD13 ' OD1' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -133.46 112.67 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.344 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.019 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.82 130.02 41.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.643 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -150.9 161.27 43.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.391 1.057 . . . . 0.0 110.405 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.62 38.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.16 -59.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 46.46 74.86 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -126.77 118.21 24.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -26.3 39.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.31 82.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -36.14 82.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.354 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 53.0 t -61.43 -47.26 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.0 OUTLIER -71.9 -31.53 66.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -61.08 -54.96 38.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.71 -48.08 34.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.613 1.195 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.27 -28.2 40.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.64 -21.63 18.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 12.5 tp -66.96 -22.17 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.13 -21.59 1.75 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.44 143.18 5.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 31.9 t30 -76.52 -38.81 54.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.474 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.0 m-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.847 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.6 tp -118.25 91.33 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.71 141.86 50.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.789 HG21 ' HB2' ' A' ' 31' ' ' PHE . 9.9 t -101.42 125.94 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.11 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.76 116.67 32.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.885 ' N ' HD22 ' A' ' 10' ' ' LEU . 9.7 pt -136.6 110.15 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 37' ' ' ALA . 12.5 p -132.55 130.1 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.813 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -138.62 141.4 39.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.553 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 6.6 t0 -50.85 -50.84 55.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.66 143.32 27.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' LEU . 2.6 t -70.06 -42.95 79.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -57.16 -34.97 68.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.495 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.2 m -72.18 -57.2 4.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.555 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.99 -28.69 69.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -73.11 -43.44 61.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 17' ' ' THR . 17.1 mt -61.13 -57.29 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.982 HD13 HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -56.17 -49.51 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.49 ' HA2' ' CD1' ' A' ' 11' ' ' ILE . . . -63.51 -30.34 77.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.118 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 63.5 t0 -74.8 -48.04 27.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.8 81.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.77 -25.87 62.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.562 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.27 -50.46 73.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.511 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -62.11 -12.57 20.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.603 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -97.99 -14.62 20.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.61 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.64 34.7 84.41 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.221 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.97 -103.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.532 ' HG2' HG23 ' A' ' 7' ' ' ILE . 15.9 tptt -162.29 -55.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.593 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.1 125.37 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.221 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.2 pt -94.96 111.83 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.639 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -122.87 116.27 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.58 140.78 52.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.769 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.87 129.53 13.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 35.09 -88.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.93 -171.67 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -42.28 -39.44 3.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.418 1.074 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 2.0 tt0 -69.5 -58.02 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.872 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.57 -43.04 93.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.645 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.59 -25.3 75.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 7.2 tpt -68.64 -48.36 64.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -71.62 -39.46 70.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.872 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -64.93 -34.45 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.688 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -79.14 -45.06 20.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 111.0 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.426 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.92 -41.62 95.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 6.2 mm-40 -54.48 -19.4 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.632 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.69 -175.2 0.46 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.06 149.18 36.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.688 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 46.9 p-80 -164.99 158.33 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.621 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.847 ' CB ' HD12 ' A' ' 7' ' ' ILE . 58.3 t-80 -146.19 14.24 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.564 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.695 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -157.85 133.76 9.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.11 HG13 ' CD1' ' A' ' 10' ' ' LEU . 23.0 t -133.74 94.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.982 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.1 138.75 42.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -144.6 169.89 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.474 ' HB2' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -96.97 -172.47 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -117.71 17.11 14.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.553 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -60.6 -80.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.696 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 3.1 mtp -156.47 47.28 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.696 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -75.11 137.06 20.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . 3.6 mmtp -76.95 -19.88 56.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.438 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -134.24 80.12 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 68' ' ' GLY . 26.3 t0 -76.85 173.96 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.475 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -32.24 -60.03 0.37 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 67' ' ' LEU . 1.4 mt -58.12 -46.69 85.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -52.96 -45.88 61.42 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.976 HD22 ' CG1' ' A' ' 55' ' ' VAL . 1.3 mt -63.24 -39.03 93.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.083 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -61.19 -48.76 80.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.373 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -56.6 -35.2 67.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.63 74.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.083 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.3 m -56.39 -36.4 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.599 ' NH2' HD21 ' A' ' 102' ' ' LEU . 10.4 mtm180 -61.0 -17.31 51.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.7 -21.87 13.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.481 ' ND2' ' HB3' ' A' ' 78' ' ' ALA . 8.8 t30 -133.24 113.47 13.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.575 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.6 Cg_endo -74.97 -5.74 17.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.481 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . . . -69.61 -26.6 64.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 1.03 HG23 HG12 ' A' ' 73' ' ' VAL . 10.5 t -111.08 6.14 20.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.475 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.575 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.96 -12.33 60.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 7.76 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.606 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.38 127.74 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.62 121.73 32.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.8 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.31 149.17 22.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -120.53 135.96 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -133.58 111.55 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.006 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.09 130.81 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.584 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -151.01 161.62 42.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.08 38.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.484 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.06 -58.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.377 1.048 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.9 71.4 0.57 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 96' ' ' VAL . 1.2 m-20 -125.73 114.24 18.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -25.16 35.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.71 80.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -35.83 78.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.583 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 60.3 t -61.08 -47.7 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -72.02 -31.28 66.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.36 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 5.6 ttmm -61.11 -55.28 34.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.55 -49.02 28.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.843 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.13 -28.02 23.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.0 -21.42 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.599 HD21 ' NH2' ' A' ' 74' ' ' ARG . 10.5 tt -67.21 -22.21 65.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.84 -21.69 0.7 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.881 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -54.7 143.36 25.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 80' ' ' LYS . 22.7 t30 -80.53 -36.11 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.535 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.646 HG23 ' HG2' ' A' ' 32' ' ' LYS . 2.6 tp -123.37 91.36 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.67 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -125.02 138.11 54.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.803 HG21 ' HB2' ' A' ' 31' ' ' PHE . 8.3 t -102.09 127.7 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.111 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.34 117.03 32.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.199 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.892 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.5 pp -134.7 109.65 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.781 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.4 p -133.26 129.21 56.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.821 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.6 m-20 -139.18 143.41 38.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.47 ' HB2' ' CB ' ' A' ' 60' ' ' ASN . 3.2 t70 -53.98 -50.32 66.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.12 142.55 28.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 3.3 t -70.32 -43.05 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.413 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -57.07 -36.24 70.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 110.353 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.469 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.3 m -72.39 -57.21 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.605 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.76 -29.21 70.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -72.54 -44.3 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 17' ' ' THR . 14.3 mt -58.55 -57.01 14.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.955 HD13 HD11 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -55.36 -49.94 70.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.06 -29.34 74.07 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 15.0 t70 -77.03 -47.85 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.28 82.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.382 1.051 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.983 HD13 HD23 ' A' ' 29' ' ' LEU . 2.3 mm? -71.22 -26.89 63.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.591 1.182 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.61 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.2 mm-40 -61.17 -48.86 79.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.54 -12.65 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.983 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -95.67 -13.41 24.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.623 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 68.31 33.72 78.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.177 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.73 -103.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.991 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.646 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -163.85 -53.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.6 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.55 124.41 5.03 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.177 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.3 112.44 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.687 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.98 116.31 22.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.36 140.64 52.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.781 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.9 129.81 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.63 -88.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -148.9 -172.74 4.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 0.801 . . . . 0.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.6 -43.49 2.24 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 4.1 mt-10 -65.67 -56.93 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.725 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.8 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -61.0 -43.87 98.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.226 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.583 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.48 -25.9 74.61 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -48.93 55.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 0.81 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -70.43 -41.73 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -66.8 -32.29 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.837 ' SD ' HG22 ' A' ' 55' ' ' VAL . 32.3 ttp -79.37 -46.45 17.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.2 93.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.3 mm100 -52.13 -19.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.637 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.48 -174.56 0.41 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.637 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.09 149.6 36.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.692 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 49.7 p-80 -166.18 155.76 11.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.67 ' N ' ' O ' ' A' ' 8' ' ' LYS . 9.1 t60 -147.45 12.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.537 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.62 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.31 135.82 12.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.111 HG13 ' CD1' ' A' ' 10' ' ' LEU . 26.2 t -133.68 97.14 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.955 HD11 HD13 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -115.46 133.46 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.472 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.0 t -142.71 170.16 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.428 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -97.23 -174.3 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -113.2 17.59 18.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -58.55 -81.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.676 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 16.9 ptm -159.24 48.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.676 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.02 137.58 21.85 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.434 1.755 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 37.9 mmtt -76.81 -19.71 57.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.483 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.9 OUTLIER -135.49 83.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.0 t70 -78.37 172.9 12.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.502 ' HA3' HG23 ' A' ' 86' ' ' ILE . . . -35.54 -57.9 0.92 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.5 mt -57.25 -43.83 83.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 0.741 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.73 -40.82 72.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.032 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -64.93 -42.14 94.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.02 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -56.81 -44.59 82.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.738 ' N ' HD13 ' A' ' 70' ' ' LEU . 9.8 mt-30 -62.82 -35.58 80.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.22 -44.94 71.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.086 HG12 HG23 ' A' ' 79' ' ' THR . 1.8 m -55.86 -36.87 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.077 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -59.93 -18.49 45.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.51 -21.71 13.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.7 113.38 12.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.586 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.99 -5.57 16.96 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.64 -25.21 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 1.086 HG23 HG12 ' A' ' 73' ' ' VAL . 11.7 t -113.9 6.44 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.586 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -70.57 -13.34 62.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 8.14 30.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.99 124.99 42.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.634 ' HB1' ' HB3' ' A' ' 106' ' ' ASN . . . -89.62 121.16 31.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.797 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.57 148.65 23.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.611 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -119.1 137.32 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.502 HG23 ' HA3' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -132.69 113.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.02 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.59 128.74 41.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.558 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -152.83 161.98 41.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.148 . . . . 0.0 110.374 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.49 38.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.469 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.37 -59.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 43.18 74.04 0.21 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.9 124.53 39.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -55.13 -26.84 41.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.61 80.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -35.56 81.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.577 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 62.0 t -60.75 -47.84 91.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.27 -29.73 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 24.4 ttmt -61.11 -56.38 21.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.58 -47.92 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.52 -28.04 29.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -94.88 -22.9 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.815 ' O ' HD13 ' A' ' 102' ' ' LEU . 0.5 OUTLIER -65.75 -21.64 66.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.56 -20.13 2.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.458 ' N ' HD23 ' A' ' 70' ' ' LEU . . . -45.6 140.95 3.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 12.7 t30 -70.7 -42.79 70.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.634 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.5 t-20 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.596 HG23 ' HG2' ' A' ' 32' ' ' LYS . 2.6 tp -123.49 91.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -125.08 139.97 53.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.763 HG21 ' HB2' ' A' ' 31' ' ' PHE . 9.1 t -105.2 127.63 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.119 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.95 117.46 33.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.908 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.7 pp -135.44 110.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.3 p -132.43 129.69 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.852 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.8 m-20 -139.33 144.02 38.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.54 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.7 t70 -55.28 -51.12 67.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.74 142.83 28.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.349 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.6 t -69.76 -42.11 80.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.411 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -58.1 -35.18 71.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.422 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.478 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.69 -56.99 4.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.615 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.61 -29.39 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.409 1.068 . . . . 0.0 110.261 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -72.05 -43.62 64.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 17' ' ' THR . 15.2 mt -59.73 -56.96 15.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.975 HD13 HD11 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -55.87 -50.41 70.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.233 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -62.14 -30.97 77.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 12.5 t70 -75.79 -48.11 23.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.72 82.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mp -71.39 -26.59 62.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -59.71 -51.0 71.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.52 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -63.0 -12.44 25.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.757 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -98.05 -14.92 20.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.629 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.31 35.98 88.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.178 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.26 -104.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.966 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.596 ' HG2' HG23 ' A' ' 7' ' ' ILE . 9.7 tptt -164.3 -53.94 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.634 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 47.1 tp60 -156.42 122.7 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.178 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -95.32 112.55 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.688 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -124.67 116.75 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.09 141.24 52.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.849 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.34 130.83 14.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.74 -91.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.02 -172.12 3.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.46 -44.54 2.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 9.4 mt-10 -66.39 -56.11 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.87 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.73 -46.4 90.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.753 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -67.18 -25.65 73.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.497 ' SD ' ' CB ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -69.33 -51.82 33.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HG3' HD12 ' A' ' 46' ' ' ILE . 2.5 pttt -69.74 -30.45 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.87 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -72.9 -36.91 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -76.43 -46.63 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.415 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.37 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.237 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 5.4 mm-40 -52.04 -20.0 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.61 -174.83 0.43 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.1 152.82 40.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.569 1.826 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.652 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 19.0 p-80 -170.82 157.82 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.652 ' N ' ' O ' ' A' ' 8' ' ' LYS . 50.8 t-80 -146.08 14.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.647 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.582 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.16 133.0 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.119 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.9 t -132.35 94.85 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.975 HD11 HD13 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -113.56 137.52 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.524 ' N ' HD12 ' A' ' 56' ' ' ILE . 3.7 t -144.27 170.85 15.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.441 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -99.14 -173.77 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -116.39 16.65 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.54 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -57.92 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.067 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.667 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 3.9 ptm -158.72 49.68 0.34 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -74.95 138.5 23.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 18.9 mmtt -76.02 -20.23 57.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.498 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 2.5 tpt -136.23 84.66 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.4 t70 -76.25 172.99 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.75 -56.77 0.79 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.418 1.074 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.5 mt -56.87 -44.94 82.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -58.15 -39.79 92.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.054 HD12 HG11 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -65.3 -45.03 85.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.067 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.11 -43.38 87.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.727 ' N ' HD13 ' A' ' 70' ' ' LEU . 3.2 mt-30 -59.87 -36.0 75.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' CB ' ' SD ' ' A' ' 44' ' ' MET . . . -68.54 -45.31 72.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.067 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.1 m -55.58 -36.41 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -59.62 -20.3 54.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.1 -23.32 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 78' ' ' ALA . 11.5 t30 -132.42 113.43 14.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.534 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.96 -6.01 17.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.552 1.817 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . . . -70.54 -30.8 67.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 1.052 HG23 HG12 ' A' ' 73' ' ' VAL . 15.0 t -105.78 6.93 32.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.534 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -77.32 -7.0 55.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.362 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.1 9.02 30.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.551 ' CB ' ' NE2' ' A' ' 52' ' ' HIS . . . -104.68 128.08 52.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 106' ' ' ASN . . . -89.28 122.29 32.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.795 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.86 148.47 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.576 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.79 135.66 60.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.406 ' CG2' ' H ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -135.18 112.84 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.012 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -96.42 130.22 43.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.6 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -151.64 161.48 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.88 38.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.474 ' H ' ' C ' ' A' ' 88' ' ' THR . 3.0 mp0 -124.66 -59.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.19 74.39 0.21 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.134 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -126.31 120.61 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -25.47 37.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.66 80.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -35.76 80.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.581 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 60.9 t -61.39 -47.4 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.566 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 6.6 tt0 -72.02 -30.56 65.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 3.9 ttpp -62.38 -55.16 30.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.3 -48.54 33.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.72 -28.0 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -94.76 -22.43 18.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.901 ' O ' HD13 ' A' ' 102' ' ' LEU . 1.3 tm? -66.4 -21.48 66.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.93 -19.19 2.35 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.96 139.0 10.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 27.4 t30 -74.96 -38.37 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.584 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.833 HD12 ' CB ' ' A' ' 53' ' ' HIS . 4.0 tp -121.4 91.34 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.77 141.36 51.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.29 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.817 HG21 ' HB2' ' A' ' 31' ' ' PHE . 11.9 t -101.83 127.36 55.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.107 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.82 117.18 33.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.899 ' N ' HD22 ' A' ' 10' ' ' LEU . 9.2 pt -136.37 110.95 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.809 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.0 p -132.94 130.99 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.839 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.2 m-20 -139.37 144.21 38.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.484 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.3 t70 -54.36 -48.1 71.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.14 141.52 28.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.255 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.546 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.5 t -68.82 -40.86 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -34.96 66.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.3 m -73.05 -57.67 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.01 -29.55 70.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.332 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -72.81 -44.52 61.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.39 -57.12 13.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.985 HD13 HD11 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -56.76 -50.01 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -62.34 -30.77 77.12 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.438 1.086 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 25.8 t0 -75.45 -47.89 25.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 0.824 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.88 83.12 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.67 -25.93 62.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.544 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -59.82 -50.85 72.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.512 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -61.76 -12.83 18.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 110.335 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -97.42 -14.66 21.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.61 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 66.92 35.18 89.14 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.207 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.32 -103.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.955 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -162.89 -54.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.611 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -157.95 125.33 5.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.207 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.33 111.47 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.648 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.33 116.54 23.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.72 140.35 52.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.809 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.62 130.85 14.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.77 -88.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -147.43 -172.01 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 0.793 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.21 -44.19 3.73 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.463 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.3 mt-10 -67.48 -55.01 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.515 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.76 -43.43 94.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.693 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.09 -23.96 77.2 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.594 1.184 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.436 ' HE3' ' HB2' ' A' ' 48' ' ' ALA . 7.9 tpt -68.2 -50.63 53.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -68.87 -42.08 77.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.515 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -65.18 -33.07 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.817 ' SD ' HG22 ' A' ' 55' ' ' VAL . 31.4 ttp -77.88 -46.5 21.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.09 -44.3 92.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.36 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -50.17 -20.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.639 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.75 -174.55 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.0 150.14 37.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.661 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 55.0 p-80 -165.78 155.55 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.544 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.833 ' CB ' HD12 ' A' ' 7' ' ' ILE . 43.2 t-80 -146.5 13.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.612 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.653 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.36 134.69 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.343 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.107 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.4 t -133.73 94.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.985 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -113.4 137.43 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.464 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -144.48 170.61 15.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.32 -174.18 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -113.86 16.03 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -57.96 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.667 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -159.29 48.99 0.29 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.04 138.96 23.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 40.8 mmtt -76.09 -19.74 58.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.455 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -135.74 78.88 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' GLY . 46.8 t0 -76.37 175.86 8.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.895 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -31.84 -62.16 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.5 mt -57.61 -45.61 85.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.64 -41.22 73.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.961 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -65.25 -41.8 93.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.072 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -59.59 -44.93 93.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.734 ' N ' HD13 ' A' ' 70' ' ' LEU . 4.7 mt-30 -60.59 -35.79 76.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.12 73.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.072 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.1 m -55.91 -36.68 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -60.01 -19.14 51.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.9 -22.73 13.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -129.33 113.32 18.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.551 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.2 -35.21 66.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 1.01 HG23 HG12 ' A' ' 73' ' ' VAL . 15.3 t -102.16 6.46 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -73.35 -11.72 60.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -107.44 8.09 29.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.24 128.75 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.546 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.58 121.73 32.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.814 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.84 148.76 22.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.577 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.78 136.53 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.171 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 tt -134.36 111.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.015 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.61 129.62 42.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.589 ' N ' HD22 ' A' ' 87' ' ' LEU . 5.7 t -151.92 162.73 40.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.05 38.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.534 ' HB2' HG23 ' A' ' 88' ' ' THR . 2.7 mp0 -125.34 -60.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.14 72.28 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.558 1.161 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -125.58 120.79 31.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 0.779 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -55.59 -25.93 41.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.69 80.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -35.51 79.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.6 t -61.29 -47.63 92.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.26 -29.13 63.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 1.3 ttpt -61.86 -55.92 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.04 -47.92 33.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.54 -27.79 27.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.41 -20.56 17.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.0 tp -66.11 -22.52 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.27 -19.17 1.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.578 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -48.18 154.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.733 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 37.9 t30 -85.63 -42.62 14.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.513 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.611 HG23 ' HG2' ' A' ' 32' ' ' LYS . 3.2 tp -121.97 89.59 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.39 1.056 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -124.8 138.2 54.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.786 HG21 ' HB2' ' A' ' 31' ' ' PHE . 13.7 t -102.46 126.8 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.106 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.66 116.98 33.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.898 ' N ' HD22 ' A' ' 10' ' ' LEU . 9.3 pt -136.15 111.07 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.841 HG21 ' O ' ' A' ' 37' ' ' ALA . 8.4 p -132.73 132.62 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.853 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.1 m-20 -138.21 145.06 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.534 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.5 t0 -57.5 -33.77 68.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.89 143.9 33.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.191 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.549 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 t -69.81 -41.27 79.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.4 -35.81 68.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.36 -58.22 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.549 ' CG ' ' HA ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -61.3 -30.41 70.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 3.3 tt -71.43 -43.33 66.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.72 -57.22 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.873 HD12 HD12 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -56.78 -49.6 74.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.36 -29.68 75.26 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.471 1.107 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 39.1 t70 -75.86 -47.87 23.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 0.809 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.22 -48.42 81.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.47 -25.96 62.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.618 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.6 mm-40 -61.07 -49.42 77.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -13.09 26.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -95.63 -13.5 24.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.211 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.618 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 68.66 34.99 79.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.183 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.35 -103.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 111.042 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.611 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -163.91 -53.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.638 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.09 124.33 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.183 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.3 111.0 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.653 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.68 117.07 24.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 0.0 110.414 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.74 140.97 52.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.841 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.65 131.13 14.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.81 -89.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.76 -172.46 3.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.33 -44.77 3.12 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.495 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 16.1 mt-10 -67.25 -55.01 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.83 ' O ' HD13 ' A' ' 46' ' ' ILE . 1.9 tt0 -59.74 -43.27 94.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.728 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.44 -23.67 77.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.434 ' HE3' ' HB2' ' A' ' 48' ' ' ALA . 9.0 tpt -69.0 -48.63 62.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.782 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.571 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -70.62 -39.93 73.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.83 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -67.26 -33.42 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.827 ' SD ' HG22 ' A' ' 55' ' ' VAL . 28.9 ttp -77.62 -46.79 21.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.434 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.69 -43.88 92.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -51.42 -20.09 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.639 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.03 -174.26 0.4 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.03 149.93 37.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.683 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 56.0 p-80 -166.34 156.48 12.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.587 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.679 ' N ' ' O ' ' A' ' 8' ' ' LYS . 40.0 t-80 -146.91 12.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.639 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.08 136.16 12.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.106 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.3 t -133.66 95.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.812 HD11 HD22 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.61 136.77 50.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.488 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -144.35 170.53 15.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.955 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.87 -173.46 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -115.21 16.97 16.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.029 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.534 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -59.25 -82.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.678 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 6.4 mtt -156.76 48.54 0.34 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.678 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -75.0 138.15 22.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.445 1.761 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.495 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 29.6 mmtt -76.34 -19.52 58.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 1.9 tpt -135.79 80.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.6 t70 -75.78 173.46 11.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.671 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -32.95 -58.63 0.47 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.7 mt -57.86 -45.71 85.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.63 0.841 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -56.5 -42.52 90.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.971 HD22 ' CG1' ' A' ' 55' ' ' VAL . 1.5 mt -64.28 -39.88 94.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 0.777 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.063 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.74 -48.94 79.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -57.56 -35.37 70.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB2' ' HE2' ' A' ' 64' ' ' MET . . . -67.6 -45.72 74.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.063 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -56.01 -36.51 44.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -60.65 -19.9 59.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.66 -21.82 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -128.53 112.83 19.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.571 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -74.93 -4.85 16.03 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.14 66.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 1.002 HG23 HG12 ' A' ' 73' ' ' VAL . 15.1 t -101.93 6.51 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.571 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -71.78 -12.84 61.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.86 7.74 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.644 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -99.71 128.28 45.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.93 121.61 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.835 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.49 147.41 23.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.579 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -117.64 135.98 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -134.04 110.86 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.038 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.83 129.51 43.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.599 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -152.42 162.14 41.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 38.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' THR . 3.4 mp0 -125.13 -59.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.15 74.48 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -127.1 123.65 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -55.59 -26.83 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.48 81.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.07 -35.87 81.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.232 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.59 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 60.7 t -61.74 -47.15 94.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.04 -30.48 65.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -62.04 -55.22 31.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.8 -48.24 32.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.66 -27.55 28.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.31 -20.75 17.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.743 HD23 HD21 ' A' ' 70' ' ' LEU . 20.0 tp -66.41 -22.31 66.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.94 -16.21 2.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.764 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -52.19 144.84 11.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 35.2 t30 -76.3 -42.12 46.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.534 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.244 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.509 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.829 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.0 tp -115.14 92.35 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.228 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.632 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.97 143.11 49.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.882 HG21 ' HB2' ' A' ' 31' ' ' PHE . 11.6 t -101.78 125.15 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.099 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.2 116.35 31.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.875 ' N ' HD22 ' A' ' 10' ' ' LEU . 5.8 pt -136.3 110.25 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.8 p -131.8 132.48 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.796 ' CG ' HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -139.23 144.16 38.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.548 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 2.4 t70 -54.22 -52.19 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.83 142.91 29.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.224 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.8 t -69.38 -41.59 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -35.01 69.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.482 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 1.1 m -73.46 -57.25 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.92 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.625 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.72 -29.17 70.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.608 1.193 . . . . 0.0 110.33 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -72.37 -44.26 62.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.8 mt -58.63 -56.56 20.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.848 HD13 HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -56.08 -49.61 73.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.4 -29.54 73.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 44.7 t0 -76.86 -48.64 17.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 0.725 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.75 -47.42 85.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HG ' HD23 ' A' ' 29' ' ' LEU . 7.4 mp -71.65 -27.07 62.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.592 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 1.9 mm-40 -59.69 -47.8 84.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -13.45 62.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.835 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -90.84 -11.51 39.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.356 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.585 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 64.06 26.45 70.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.183 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -18.6 -98.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 111.047 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.607 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -161.69 -57.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.421 1.076 . . . . 0.0 109.383 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.641 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -158.25 129.33 6.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.183 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -92.49 111.64 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.62 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -125.66 115.0 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.394 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -126.36 142.9 51.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.849 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.55 130.71 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.1 -89.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.5 -172.42 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.81 -44.36 2.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.494 ' CG ' ' HB2' ' A' ' 63' ' ' LYS . 28.9 mm-40 -67.09 -55.85 12.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.89 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.5 -44.18 96.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.781 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.85 -26.06 74.85 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.5 tpt -68.71 -51.38 42.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.603 0.825 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -67.89 -34.46 76.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.89 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -70.4 -34.58 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.698 ' HG2' ' CG ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -77.74 -46.64 21.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.79 -42.6 99.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -50.8 -20.22 1.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.649 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -138.75 -174.43 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.649 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.99 150.01 37.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.698 ' CG ' ' HG2' ' A' ' 47' ' ' MET . 43.8 p-80 -163.61 158.08 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.629 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.829 ' CB ' HD12 ' A' ' 7' ' ' ILE . 70.1 t60 -147.15 14.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.529 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.711 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -157.51 134.33 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.099 HG13 ' CD1' ' A' ' 10' ' ' LEU . 24.1 t -134.38 94.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.848 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.35 138.82 43.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.523 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -144.57 170.57 15.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.436 ' HB2' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -97.79 -173.48 2.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.26 17.68 15.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.548 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -60.35 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.688 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -156.75 47.79 0.31 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 111.056 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.688 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.96 139.07 23.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.494 ' HB2' ' CG ' ' A' ' 41' ' ' GLU . 4.5 mmtp -76.19 -20.72 57.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.6 ' CE ' ' HB2' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -136.55 83.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 111.012 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.8 t70 -76.94 172.75 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.608 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -33.16 -58.7 0.5 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 67' ' ' LEU . 1.9 mt -57.96 -45.87 86.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.55 -42.7 84.86 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.048 HD22 HG11 ' A' ' 55' ' ' VAL . 1.4 mt -64.35 -39.12 93.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.002 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.43 -48.18 82.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -30.12 70.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.6 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -73.22 -45.19 57.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.014 HG13 ' O ' ' A' ' 69' ' ' LEU . 2.2 m -56.02 -36.41 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -60.12 -19.88 55.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.03 -24.4 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.678 ' HB3' HG22 ' A' ' 79' ' ' THR . 12.8 t30 -125.25 113.21 26.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.512 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.08 -5.83 17.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.25 -32.44 61.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.678 HG22 ' HB3' ' A' ' 76' ' ' ASN . 5.9 t -104.91 6.71 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.16 -18.18 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.426 ' N ' ' HE3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -101.18 7.87 42.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.652 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.29 128.23 44.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -90.52 121.5 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.832 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.75 148.8 22.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.613 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -118.37 136.6 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.417 HD13 ' OD1' ' A' ' 65' ' ' ASP . 1.9 tp -133.3 110.95 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.029 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.02 130.38 41.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.598 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -151.58 162.33 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.04 38.82 0.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.473 ' CD ' ' HG1' ' A' ' 88' ' ' THR . 2.4 mp0 -125.08 -59.84 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 46.48 72.15 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.55 121.92 31.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -26.86 37.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.11 83.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -36.13 82.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.9 t -61.46 -47.15 94.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.03 -30.87 65.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -60.96 -55.34 34.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 102' ' ' LEU . . . -74.01 -47.53 36.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.22 -27.43 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -98.0 -20.17 17.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.676 ' O ' HD13 ' A' ' 102' ' ' LEU . 3.4 tm? -66.8 -22.79 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.73 -19.67 1.82 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.731 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -50.61 144.28 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 0.819 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 32.9 t30 -75.3 -43.13 52.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.429 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.2 m120 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.791 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.3 tp -118.85 91.63 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.61 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.04 142.28 50.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.843 HG21 ' HB2' ' A' ' 31' ' ' PHE . 4.2 t -101.39 128.45 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.107 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.51 117.14 32.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.897 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.4 pp -136.28 110.47 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.786 HG21 ' O ' ' A' ' 37' ' ' ALA . 9.6 p -133.2 130.42 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.78 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.1 m-20 -140.96 143.42 34.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.473 ' CB ' ' CG ' ' A' ' 60' ' ' ASN . 9.9 t70 -55.35 -48.26 74.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.03 140.43 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.565 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.5 t -70.56 -41.39 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.26 -36.18 70.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.511 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 27.8 m -72.32 -56.9 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.575 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.37 -29.67 70.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 4.2 tt -73.17 -44.18 60.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.09 -57.56 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.831 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -57.09 -50.26 73.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -61.96 -30.61 75.88 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.1 t70 -75.64 -47.81 24.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.747 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.94 -44.99 83.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.432 ' HG ' HD23 ' A' ' 29' ' ' LEU . 6.8 mp -71.87 -26.46 62.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.559 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.37 -49.86 75.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.502 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -65.68 -13.16 58.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.893 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -94.52 -12.89 26.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.587 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 65.4 29.33 74.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.209 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -18.67 -101.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 0.729 . . . . 0.0 111.03 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.652 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -162.1 -56.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.227 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.574 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -159.16 126.85 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.209 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.2 pt -94.28 113.36 28.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.225 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.694 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -124.26 116.05 22.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.53 142.02 51.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.786 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.43 129.74 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.393 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.6 -90.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.31 -172.17 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -40.76 -40.51 2.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 1.8 tt0 -69.41 -57.87 4.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.555 ' O ' HD13 ' A' ' 46' ' ' ILE . 4.3 tt0 -59.92 -43.93 94.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.742 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -69.88 -26.26 74.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.488 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 5.6 tpt -68.14 -52.7 31.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 0.804 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CG ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -68.56 -33.46 74.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -70.06 -34.7 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.642 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -77.87 -46.48 21.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.435 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -63.27 -41.73 99.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.3 mm-40 -52.53 -20.23 2.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.221 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.623 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -137.07 -175.87 0.52 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.03 148.97 35.9 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.642 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 20.4 p-80 -165.78 158.91 15.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 109.643 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.791 ' CB ' HD12 ' A' ' 7' ' ' ILE . 45.6 t-80 -147.06 15.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.588 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.757 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.93 131.89 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.107 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.6 t -133.38 94.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -114.5 137.69 47.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.3 t -144.94 171.02 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.473 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -97.96 -173.21 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.436 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -116.05 17.77 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.473 ' CG ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -59.05 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.684 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -159.19 48.01 0.26 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.99 137.87 22.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . 44.9 mmtt -76.25 -19.52 58.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 3.5 tpp -136.05 81.56 1.89 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.7 t70 -77.49 175.33 9.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.884 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -32.51 -60.86 0.37 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 67' ' ' LEU . 1.8 mt -57.66 -45.7 85.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.6 -41.49 73.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.926 HD22 HG11 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -64.68 -43.27 94.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.036 ' O ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.39 -43.78 92.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.687 ' N ' HD13 ' A' ' 70' ' ' LEU . 8.8 mt-30 -59.66 -35.99 75.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.65 72.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.075 HG12 HG23 ' A' ' 79' ' ' THR . 2.0 m -55.64 -36.57 42.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.395 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -20.62 55.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.8 -25.08 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.9 114.86 15.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.509 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -74.99 -5.7 17.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.16 -32.97 69.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 1.075 HG23 HG12 ' A' ' 73' ' ' VAL . 14.2 t -102.74 7.07 39.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -78.21 -6.69 55.66 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 8.34 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.57 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.65 129.1 50.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.59 121.0 31.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.816 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.0 149.99 21.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.06 . . . . 0.0 111.048 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.588 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -121.52 134.26 65.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -132.04 113.1 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.4 130.67 42.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.594 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -150.76 161.25 43.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.404 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.12 38.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.484 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -124.9 -58.73 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.248 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.83 71.65 0.48 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -125.55 119.47 28.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -25.61 34.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.44 -48.45 81.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.17 -35.63 80.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.1 t -61.17 -47.61 92.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.566 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.1 -30.02 64.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 14.4 ttmt -61.47 -55.79 27.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.67 -48.23 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.72 -27.61 29.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.79 -21.34 17.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -66.69 -22.06 66.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.97 -20.75 1.78 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -49.74 146.04 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 24.8 t30 -81.35 -36.67 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.491 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.2 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.36 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.806 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.8 tp -122.91 92.05 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.606 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.91 139.36 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.816 HG21 ' HB2' ' A' ' 31' ' ' PHE . 10.9 t -100.79 127.54 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.078 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.59 117.15 33.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.9 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.4 pp -134.87 109.28 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.805 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.1 p -132.72 130.35 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.887 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.2 m-20 -139.35 144.83 38.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.528 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 3.3 t70 -56.04 -47.57 77.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' NE2' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -89.9 143.27 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.8 t -70.05 -42.6 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.417 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -58.51 -35.62 72.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 110.367 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.2 m -71.79 -57.8 4.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.012 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.61 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.09 -29.62 70.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.08 -44.66 65.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 mt -58.37 -56.89 16.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.887 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.79 -49.96 71.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.43 -29.38 73.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' LEU . 55.0 t0 -76.6 -47.89 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.01 83.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.004 HD13 HD23 ' A' ' 29' ' ' LEU . 1.8 mm? -71.33 -26.25 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.616 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -61.49 -49.13 78.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.336 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -12.91 29.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.004 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -95.28 -12.99 25.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.616 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.38 33.27 81.56 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.191 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.71 -103.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 111.029 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.66 ' HG2' HG23 ' A' ' 7' ' ' ILE . 13.1 tptt -163.51 -54.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.6 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.64 124.49 5.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.191 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.85 111.95 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.673 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.23 116.35 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.746 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.82 140.21 53.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.805 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.44 131.31 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.51 -89.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.21 -171.82 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.13 -43.93 3.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 12.8 mt-10 -67.72 -54.82 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.822 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.87 -44.3 94.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.679 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.63 -24.02 77.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.59 ' HB2' HD21 ' A' ' 69' ' ' LEU . 5.6 tpt -68.42 -49.13 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.776 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.552 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.68 -40.7 72.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.822 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.09 -33.83 66.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.859 ' SD ' HG22 ' A' ' 55' ' ' VAL . 30.0 ttp -77.49 -46.24 23.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.056 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.14 91.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 4.0 mm-40 -50.84 -19.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.638 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.5 -174.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.068 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.638 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -75.04 150.38 37.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.675 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 55.9 p-80 -166.47 155.8 11.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.549 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.806 ' CB ' HD12 ' A' ' 7' ' ' ILE . 50.0 t-80 -146.48 14.14 1.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.473 1.108 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.661 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -156.87 134.41 10.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.078 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.9 t -133.57 95.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.602 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -115.73 135.47 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.18 171.04 14.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.55 -173.56 2.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -115.49 15.46 16.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.528 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -57.15 -80.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.668 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -159.0 49.38 0.31 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.566 1.166 . . . . 0.0 111.049 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -74.93 138.93 23.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 11.8 mmtm -76.12 -19.52 58.44 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.488 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -138.01 83.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' GLY . 44.7 t0 -76.11 173.69 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.213 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.88 -60.91 0.4 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 67' ' ' LEU . 1.6 mt -57.11 -46.42 82.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -52.67 -44.79 60.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.006 HD12 HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -65.97 -38.17 87.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.079 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -59.14 -45.34 91.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.659 ' N ' HD13 ' A' ' 70' ' ' LEU . 36.9 mt-30 -61.34 -35.8 78.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.247 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.12 75.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.079 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -55.79 -36.7 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.222 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -59.51 -21.05 59.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.51 -24.93 14.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -125.97 113.43 24.32 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.585 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.03 -4.03 14.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.62 -36.37 68.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.872 HG23 HG12 ' A' ' 73' ' ' VAL . 10.4 t -102.94 7.32 39.23 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.587 1.179 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.585 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -71.92 -11.77 60.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 8.52 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.595 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.47 127.62 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.81 121.06 31.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.823 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.57 147.26 24.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.62 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -118.31 135.71 57.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 tt -132.54 111.64 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.041 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.51 128.97 41.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.594 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.8 p -150.27 162.15 41.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.82 37.66 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.9 mp0 -125.16 -59.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.94 72.08 0.48 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -124.71 116.19 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -55.6 -24.62 34.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.98 79.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -35.9 80.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.573 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 49.0 t -61.51 -47.46 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -71.71 -30.45 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 11.0 ttmt -62.23 -55.66 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.85 -49.18 31.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.781 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -52.83 -27.98 20.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.03 -20.15 18.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.809 ' O ' HD13 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -66.47 -21.97 66.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.03 -15.85 1.53 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.781 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -52.65 146.3 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 29.6 t30 -76.23 -40.9 50.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.423 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 4.5 m-20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.52 0.2 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.5 -30.67 9.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -146.79 107.23 4.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.38 -34.11 60.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.483 ' HB3' HG22 ' A' ' 7' ' ' ILE . 17.0 mt-10 -92.73 -46.07 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.17 27.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.852 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.3 tp -122.52 93.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.34 142.46 49.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.872 HG21 ' HB2' ' A' ' 31' ' ' PHE . 7.8 t -101.88 127.54 55.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.099 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.4 117.26 33.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.912 HD13 ' CD1' ' A' ' 22' ' ' LEU . 1.5 pp -135.1 108.95 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.716 HG21 ' O ' ' A' ' 37' ' ' ALA . 14.4 p -132.39 130.1 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.863 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.4 m-20 -139.41 144.28 38.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.522 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.6 t70 -57.53 -45.57 84.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.96 142.85 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.657 HG13 ' NH1' ' A' ' 19' ' ' ARG . 2.7 t -71.18 -42.42 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.59 -36.96 72.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.441 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 15.8 m -72.34 -56.89 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.657 ' NH1' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -62.45 -29.51 70.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.47 -43.83 65.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.8 mt -59.21 -56.73 18.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.912 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -55.64 -49.24 73.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.33 -29.59 74.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 30.6 t70 -76.47 -48.59 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.7 84.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.075 HD13 HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -70.93 -27.27 63.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.58 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.8 mm-40 -60.73 -47.9 84.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -68.34 -12.98 61.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.075 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -93.32 -12.55 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.585 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 65.26 29.21 74.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.226 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.1 -100.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.024 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.685 ' HG2' HG23 ' A' ' 7' ' ' ILE . 4.3 tptt -162.22 -56.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.79 126.99 5.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.226 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -94.27 112.36 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.674 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.05 115.83 22.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.19 140.82 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.716 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.28 129.69 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 34.14 -89.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.5 -171.23 3.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.7 -43.5 4.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.6 mt-10 -67.72 -56.1 10.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.516 ' O ' HD13 ' A' ' 46' ' ' ILE . 1.5 tt0 -59.59 -42.47 92.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.683 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.33 -24.17 76.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 7.0 tpt -69.45 -48.62 60.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.494 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.67 -41.67 71.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -65.71 -33.77 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.851 ' SD ' HG22 ' A' ' 55' ' ' VAL . 35.8 ttp -77.35 -46.75 21.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.46 88.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 13.6 mm-40 -49.81 -20.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.632 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -133.51 -175.03 0.44 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.95 149.74 37.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.673 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 56.2 p-80 -167.01 155.62 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.626 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.852 ' CB ' HD12 ' A' ' 7' ' ' ILE . 47.7 t-80 -147.2 14.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.671 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.07 134.85 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.099 HG13 ' CD1' ' A' ' 10' ' ' LEU . 26.3 t -134.18 96.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -115.87 134.77 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.62 170.83 15.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.95 -173.76 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -114.31 17.04 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.522 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.8 OUTLIER -57.33 -81.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.662 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -159.96 49.81 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.662 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.01 140.33 25.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.545 1.813 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.469 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 32.4 mmtt -75.7 -19.83 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.486 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -138.96 84.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 68' ' ' GLY . 28.6 t0 -76.03 176.49 7.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -33.91 -60.43 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.2 mt -56.69 -44.91 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.4 -43.02 76.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.986 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -65.16 -42.02 94.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.034 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.85 -45.13 86.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.718 ' N ' HD13 ' A' ' 70' ' ' LEU . 72.3 mt-30 -60.87 -35.59 76.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.2 -45.42 69.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.034 HG22 ' O ' ' A' ' 70' ' ' LEU . 1.8 m -55.58 -36.3 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -59.94 -20.06 55.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.38 -23.74 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.444 ' HB3' HG22 ' A' ' 79' ' ' THR . 6.0 t30 -127.99 113.5 20.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.06 -5.38 16.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.96 -34.22 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.643 HG23 HG12 ' A' ' 73' ' ' VAL . 8.5 t -104.08 7.29 36.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.389 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.543 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -73.4 -10.99 60.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -106.93 7.46 30.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.601 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.09 127.43 43.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.533 ' HB3' HG22 ' A' ' 124' ' ' VAL . . . -89.52 121.83 32.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.817 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.44 149.86 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -121.68 136.56 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -134.16 112.01 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.006 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.62 129.01 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.597 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -151.58 162.4 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.423 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.72 38.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.1 -59.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.8 73.73 0.25 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -126.67 118.23 24.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -21.88 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.8 -48.72 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -35.63 80.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.575 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 48.0 t -62.05 -47.14 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.15 -30.41 64.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.7 tttm -62.19 -55.27 30.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.26 -48.28 36.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.629 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.89 -27.83 32.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.43 -21.64 18.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.892 HD13 ' O ' ' A' ' 102' ' ' LEU . 2.4 tm? -66.88 -21.78 66.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.05 -19.71 1.76 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.629 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -49.63 145.78 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 30.2 t30 -77.86 -41.69 36.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.532 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -171.21 126.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -122.35 112.87 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.682 HD11 HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -122.69 154.62 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.603 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -93.79 155.64 17.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.444 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 7.2 ttpt -110.3 84.14 3.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.1 Cg_endo -75.01 156.7 42.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -74.8 -15.19 60.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.3 141.77 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.568 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.3 pt -72.39 -27.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -47.75 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.414 ' HB3' ' HG3' ' A' ' 111' ' ' PRO . 19.2 mttt -75.76 -44.04 43.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.416 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 5.8 tpt -63.44 -42.07 98.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 22.0 ttpt -68.7 -31.98 71.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.54 -46.43 59.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.74 -52.35 65.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.616 HD13 HD22 ' A' ' 29' ' ' LEU . 1.2 pp -61.93 -44.96 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -56.41 -26.64 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.53 -42.79 12.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.682 HG23 HD11 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -61.3 -30.87 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -85.88 -55.63 3.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -62.0 -64.74 3.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.89 66.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -95.8 127.15 41.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mtp . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.461 0.172 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -15.69 63.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.552 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -142.98 104.91 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.04 -33.59 52.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.573 ' HB3' HG22 ' A' ' 7' ' ' ILE . 14.3 mt-10 -92.32 -44.92 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER 38.68 29.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.765 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.1 tp -120.61 92.01 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.16 143.23 49.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.98 HG21 ' HB2' ' A' ' 31' ' ' PHE . 16.5 t -102.16 124.99 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.066 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -107.7 117.62 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.968 HD13 ' CD1' ' A' ' 22' ' ' LEU . 1.6 pp -136.49 112.07 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.1 p -132.67 131.07 59.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.83 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.3 m-20 -139.38 143.84 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 2.1 t70 -56.21 -50.91 69.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.65 144.21 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.57 1.169 . . . . 0.0 110.218 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.463 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 3.3 t -70.64 -42.54 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.7 -36.09 69.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.454 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.446 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -72.28 -57.9 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.998 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.638 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.35 -29.06 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.602 1.188 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.4 tt -72.3 -43.22 64.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.49 -56.61 19.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.968 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -55.91 -50.69 70.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.82 -31.0 76.68 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.552 1.158 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 18.0 t70 -74.71 -48.56 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 0.728 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.838 ' HB1' ' SD ' ' A' ' 117' ' ' MET . . . -56.83 -43.0 80.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.694 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 7.0 mp -72.68 -27.76 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.51 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -56.15 -49.82 72.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.1 mt-30 -66.03 -12.75 57.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.869 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -101.57 -19.97 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 60.87 37.39 93.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.11 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -21.52 -93.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 110.971 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG3' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -158.66 -57.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.359 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.612 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.01 129.27 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.11 HG23 ' CE2' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -93.66 111.1 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.677 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.08 115.27 21.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.96 143.33 50.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.849 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -151.28 130.36 12.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.62 -89.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -147.12 -173.34 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -38.32 -46.26 1.94 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 16.5 mt-10 -66.24 -55.46 16.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.922 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -60.02 -43.8 95.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.796 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -70.02 -26.25 74.56 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -67.1 -50.1 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 0.0 110.989 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -69.82 -32.98 71.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.922 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -71.44 -33.38 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.666 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 1.1 tmm? -79.6 -46.52 17.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.466 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.04 -41.54 98.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 1.5 mm100 -51.83 -20.21 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -139.12 -175.32 0.47 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.0 149.96 37.43 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.666 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 25.4 p-80 -164.68 157.34 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.634 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.765 ' CB ' HD12 ' A' ' 7' ' ' ILE . 29.6 t-80 -147.4 15.27 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.601 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.633 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -157.17 132.18 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.066 HG13 ' CD1' ' A' ' 10' ' ' LEU . 45.1 t -133.18 95.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.967 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -113.83 137.01 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.468 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.2 t -144.6 170.06 16.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.29 -173.34 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -114.91 17.47 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' C ' ' CG ' ' A' ' 61' ' ' MET . 0.4 OUTLIER -59.08 -81.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.666 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -157.85 49.28 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.951 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.666 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -74.97 136.42 20.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 15.1 mmtt -75.83 -19.55 58.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.486 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 1.2 tpt -135.49 81.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.694 ' OD1' HD13 ' A' ' 86' ' ' ILE . 28.3 t0 -77.16 173.97 11.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.27 -60.18 0.6 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.5 mt -56.83 -45.12 82.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 0.78 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.64 -42.24 66.86 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.998 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -63.76 -44.8 92.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 0.807 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.052 HD22 ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -56.07 -41.62 75.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.679 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.0 mt-30 -63.49 -35.59 80.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.02 -45.41 63.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.23 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.002 HG12 HG23 ' A' ' 79' ' ' THR . 1.4 m -56.02 -36.58 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -60.38 -17.65 45.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.36 -22.73 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -133.38 114.32 13.47 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.424 1.077 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.573 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.04 -6.3 17.86 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.418 1.746 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.38 -26.76 63.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 1.002 HG23 HG12 ' A' ' 73' ' ' VAL . 14.2 t -111.26 6.9 20.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.573 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.66 -14.15 60.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.5 8.66 39.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.583 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.77 125.99 47.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.731 ' HB1' ' HB3' ' A' ' 106' ' ' ASN . . . -89.61 121.12 31.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.777 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.07 149.12 22.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.631 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -121.35 136.37 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.598 1.186 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.694 HD13 ' OD1' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -134.62 111.43 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.02 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.77 129.96 41.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.566 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -152.13 163.58 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 38.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.247 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' A' ' 88' ' ' THR . 2.5 mp0 -124.88 -60.2 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.51 72.39 0.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -125.41 118.68 26.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -55.25 -22.31 17.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.42 -48.54 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -35.68 78.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 107' ' ' VAL . 54.1 t -62.03 -47.14 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.563 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -72.22 -30.21 64.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.0 ttmt -62.2 -54.76 36.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.92 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.27 -27.67 36.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.17 -23.24 17.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 25.0 tp -65.34 -22.59 66.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.78 -19.29 2.0 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -49.26 144.32 5.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 31.3 t30 -77.45 -40.2 44.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.731 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.9 t-20 -171.29 125.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.66 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -125.99 112.44 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.533 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 6.1 mt -135.07 152.28 51.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.677 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -101.54 149.17 24.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 110' ' ' LYS . 11.8 pttt -74.57 106.77 2.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.677 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.3 Cg_endo -74.91 157.28 43.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.6 -5.34 58.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.2 m -109.6 145.41 36.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.4 pt -68.67 -25.33 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.76 -44.84 80.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.309 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 111' ' ' PRO . 0.1 OUTLIER -77.17 -36.88 54.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.235 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.838 ' SD ' ' HB1' ' A' ' 25' ' ' ALA . 7.4 mtt -72.17 -39.54 68.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.938 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 2.3 ttpt -73.68 -32.29 63.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.39 -47.08 24.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.77 -49.7 74.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.334 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.821 HG21 ' CD2' ' A' ' 29' ' ' LEU . 2.3 pp -62.5 -45.8 97.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -56.23 -26.51 51.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.37 -43.01 12.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.393 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 121' ' ' ILE . 0.4 OUTLIER -61.56 -31.14 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -87.51 -51.41 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -64.75 -66.3 2.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.23 61.52 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -95.82 127.16 41.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mtp . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.492 0.187 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.8 -23.3 10.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.473 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -145.44 108.97 4.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.41 -36.83 64.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.475 ' C ' ' N ' ' A' ' 7' ' ' ILE . 15.2 mt-10 -94.0 -46.94 6.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 43.34 23.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.203 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.634 HD12 ' CB ' ' A' ' 53' ' ' HIS . 3.1 tp -124.01 91.59 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.718 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -123.54 139.55 53.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.831 HG21 ' HB2' ' A' ' 31' ' ' PHE . 8.9 t -102.4 128.49 55.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.089 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.27 117.33 33.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.906 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.5 pp -135.23 110.31 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.367 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.795 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.6 p -132.82 129.45 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.887 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.2 m-20 -138.97 143.78 38.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.525 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.4 t70 -53.48 -50.8 64.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.28 143.55 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.7 t -69.99 -41.95 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -35.83 70.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.44 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -72.67 -57.46 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.58 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.67 -29.18 70.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -71.8 -43.77 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.23 -57.03 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.887 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.8 -49.22 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.82 -29.11 73.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' LEU . 63.0 t0 -76.45 -48.04 21.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.797 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.29 81.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.67 -26.49 62.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.623 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.85 -48.85 79.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.6 -13.08 38.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 110.337 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.621 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -95.35 -12.95 25.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.618 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.86 34.12 81.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.186 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.08 -103.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 0.738 . . . . 0.0 110.913 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.528 ' HG3' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -163.37 -54.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.64 124.33 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.168 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.186 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.4 112.19 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.676 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.27 116.45 23.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.28 140.58 52.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.795 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.59 130.38 14.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.05 -89.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.3 -171.1 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.98 -44.67 4.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.44 1.088 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.7 mt-10 -66.93 -55.1 16.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.835 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.68 -43.76 93.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.702 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.93 -24.19 76.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.609 ' HE3' ' HB2' ' A' ' 48' ' ' ALA . 7.3 tpt -67.85 -50.99 53.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.529 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.69 -39.92 76.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.835 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.64 -32.8 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.834 ' SD ' HG22 ' A' ' 55' ' ' VAL . 29.3 ttp -78.61 -46.64 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.609 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.6 -43.72 92.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 11.6 mm-40 -52.46 -19.72 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.635 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.3 -174.59 0.41 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.635 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.07 149.74 36.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.679 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 56.1 p-80 -166.81 155.48 10.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 109.531 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.718 ' N ' ' O ' ' A' ' 8' ' ' LYS . 50.3 t-80 -146.31 12.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.64 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.47 136.21 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.089 HG13 ' CD1' ' A' ' 10' ' ' LEU . 24.3 t -133.57 96.53 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.867 HD11 HD13 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -114.78 135.33 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.229 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.533 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -142.32 171.04 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.95 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 0.3 OUTLIER -100.37 -174.07 2.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -114.41 15.46 17.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.525 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -57.36 -81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 109.25 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.663 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 2.6 ptm -159.46 49.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.663 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -75.0 139.9 24.81 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.548 1.815 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 10.0 mmtm -75.59 -19.54 59.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.5 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -139.71 85.39 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' GLY . 25.0 t0 -76.39 174.74 9.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.76 -60.48 0.4 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.5 mt -56.29 -45.73 80.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.77 -42.9 69.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.014 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -65.43 -40.03 92.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.253 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.038 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.11 -45.44 87.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.673 ' N ' HD13 ' A' ' 70' ' ' LEU . 20.7 mt-30 -61.34 -35.81 78.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.58 -45.06 73.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.038 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.1 m -56.03 -36.55 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -59.66 -19.99 53.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.13 -25.44 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.645 ' HB3' HG22 ' A' ' 79' ' ' THR . 10.8 t30 -125.64 114.11 25.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.237 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.504 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -75.02 -6.09 17.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.443 1.759 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.39 -33.05 62.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.645 HG22 ' HB3' ' A' ' 76' ' ' ASN . 5.1 t -104.25 6.73 35.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.063 . . . . 0.0 110.389 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.504 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.45 -16.4 61.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' N ' ' HE2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -102.39 8.49 40.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.598 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.17 126.62 42.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.58 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.22 122.68 32.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.82 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.37 148.05 24.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.618 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -117.75 136.42 54.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 tt -132.2 111.59 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.01 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.86 129.09 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.589 ' N ' HD22 ' A' ' 87' ' ' LEU . 2.6 t -151.75 162.61 40.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.84 38.24 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.42 -59.1 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.172 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.0 70.15 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.462 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -124.26 116.96 23.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -56.14 -24.38 40.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.61 81.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 92' ' ' ASP . 1.7 mp -67.96 -35.87 79.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.69 HG13 ' HB ' ' A' ' 107' ' ' VAL . 55.0 t -61.85 -47.28 93.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.564 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 7.6 tt0 -72.1 -29.96 64.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.6 tptt -61.05 -55.83 28.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.07 -48.52 29.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.742 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.16 -27.96 23.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.71 -21.29 17.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.244 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.7 tp -65.6 -22.43 66.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.86 -21.53 1.14 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.51 152.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 32.5 t30 -82.09 -50.52 8.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 2.0 m120 -160.94 126.29 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.69 ' HB ' HG13 ' A' ' 96' ' ' VAL . 2.0 t -116.32 114.35 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.92 HD23 HG23 ' A' ' 124' ' ' VAL . 1.1 mm? -118.81 151.55 37.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.551 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -98.52 155.81 17.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.424 ' NZ ' ' HG ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -112.49 77.31 2.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.553 ' HG2' ' N ' ' A' ' 117' ' ' MET . 18.4 Cg_endo -74.95 158.03 42.65 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.88 -22.25 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 117' ' ' MET . 0.6 OUTLIER -85.43 140.28 30.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.576 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.4 pt -71.88 -26.88 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -47.67 71.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.542 ' HB3' ' CG ' ' A' ' 111' ' ' PRO . 0.1 OUTLIER -71.29 -43.67 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.553 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -67.3 -41.54 85.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 7.2 ttpp -61.73 -35.14 77.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.33 -43.39 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.04 -50.03 72.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.569 ' O ' HG12 ' A' ' 124' ' ' VAL . 27.7 pt -60.69 -43.72 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -29.29 58.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.37 -45.19 13.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.92 HG23 HD23 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -60.26 -30.84 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -81.89 -57.5 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -61.84 -66.83 2.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.36 66.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.401 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -93.68 127.05 39.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.498 0.19 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.447 ' O ' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -145.92 -44.76 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.596 1.185 . . . . 0.0 109.952 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.467 ' HG ' ' HG3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -149.05 109.95 4.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.13 -36.7 66.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' C ' ' N ' ' A' ' 7' ' ' ILE . 16.9 mt-10 -94.6 -47.39 6.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 43.57 22.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.689 HG23 ' HG2' ' A' ' 32' ' ' LYS . 2.7 tp -125.45 93.18 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.684 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -124.29 142.21 51.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.82 HG21 ' HB2' ' A' ' 31' ' ' PHE . 10.2 t -104.54 128.56 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.13 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.86 117.41 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.907 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.6 pp -134.87 111.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.808 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.2 p -133.05 127.36 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.622 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.0 m-20 -139.46 142.78 37.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.555 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.3 t0 -56.02 -47.8 77.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -86.92 139.9 30.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 20' ' ' LEU . 3.0 t -69.92 -41.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.433 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -57.16 -36.01 70.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.362 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.514 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.17 -56.97 4.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.695 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.64 -28.45 69.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.345 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -73.33 -45.61 54.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 17' ' ' THR . 15.9 mt -59.8 -56.06 26.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.849 HD11 HD13 ' A' ' 11' ' ' ILE . 2.3 pp -56.38 -48.79 76.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.57 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -63.62 -29.62 75.2 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' LEU . 26.2 t0 -76.08 -48.02 22.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.09 82.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.398 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.31 -26.43 62.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.606 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -61.02 -49.02 79.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -13.24 56.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.743 HD13 HD13 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -93.91 -13.26 27.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.43 31.42 76.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.2 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -18.97 -102.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 111.017 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.689 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -162.92 -55.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.619 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -159.09 125.33 4.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.2 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.66 112.11 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.725 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -123.35 116.17 22.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.45 140.59 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 109.222 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.808 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.12 130.68 14.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.78 -90.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.565 1.165 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -146.08 -171.93 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.46 -44.97 3.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.3 mt-10 -66.38 -55.45 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.887 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -60.42 -45.11 94.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.248 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.728 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.9 -25.89 75.0 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.486 1.116 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.5 tpt -68.17 -50.71 52.66 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.467 0.745 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.527 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.89 -30.9 67.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -72.52 -35.51 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.657 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -77.93 -46.11 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.78 -42.79 99.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 6.4 mm-40 -53.96 -19.2 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.631 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.22 -174.86 0.43 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.631 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 152.57 40.96 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.768 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.657 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 17.1 p-80 -171.91 158.79 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.684 ' N ' ' O ' ' A' ' 8' ' ' LYS . 74.5 t60 -147.45 14.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.533 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.551 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.13 133.23 10.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.13 HG13 ' CD1' ' A' ' 10' ' ' LEU . 27.4 t -132.42 94.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.778 HG12 HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -117.18 138.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.39 171.25 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.499 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -93.69 -172.9 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -117.71 17.03 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.555 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -57.48 -80.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.689 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 mtt -156.63 48.14 0.33 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.07 137.73 21.93 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 8.0 mmtt -76.68 -19.74 57.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.484 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -135.0 81.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLY . 24.9 t0 -76.0 173.1 11.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.506 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -33.5 -57.71 0.57 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.8 mt -58.44 -45.78 87.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.24 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.3 -44.53 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.069 HD22 HG11 ' A' ' 55' ' ' VAL . 1.5 mt -62.94 -39.09 93.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.066 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -60.32 -48.84 80.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.79 -35.67 68.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.0 -46.11 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.066 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -56.15 -36.08 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.16 -19.62 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.259 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.16 -22.03 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -130.67 112.9 16.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.498 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -74.96 -5.8 17.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.786 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.89 -33.62 66.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 1.006 HG23 HG12 ' A' ' 73' ' ' VAL . 13.2 t -102.74 6.84 39.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -76.08 -7.45 54.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 8.53 29.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.631 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.62 128.7 50.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.697 ' HB3' HG22 ' A' ' 124' ' ' VAL . . . -89.68 121.01 31.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.826 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.34 149.87 21.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -122.57 134.93 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.456 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -131.22 113.13 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.352 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.007 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -93.7 130.75 39.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.627 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.2 t -151.25 161.92 41.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.8 38.27 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.0 OUTLIER -126.14 -59.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.96 72.22 0.41 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.437 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -127.07 122.08 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 94' ' ' ALA . 8.3 ptt180 -55.11 -26.54 38.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 93' ' ' ARG . . . -60.41 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -35.94 81.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 107' ' ' VAL . 61.4 t -61.29 -47.87 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -71.71 -29.95 65.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -61.53 -55.93 25.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.83 -47.92 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.7 -27.51 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.24 -21.07 17.48 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.431 1.082 . . . . 0.0 109.246 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 36.3 tp -66.39 -22.56 66.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.0 -19.15 1.59 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.9 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -54.23 146.21 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.407 0.71 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 18.2 t30 -80.66 -37.14 31.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.499 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.1 m-20 -170.84 127.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.697 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -128.27 112.68 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 1.6 mt -134.3 154.86 51.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.625 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -105.76 148.69 27.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 108.08 5.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.625 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.5 Cg_endo -75.03 158.06 42.3 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.76 -3.13 58.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.5 m -113.68 145.27 41.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.3 pt -70.02 -25.17 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -44.06 80.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.252 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.419 ' HB3' ' CB ' ' A' ' 111' ' ' PRO . 0.4 OUTLIER -76.04 -38.01 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.61 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 10.2 tmm? -72.83 -37.92 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 14.6 ttpt -72.41 -32.67 66.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.46 -45.91 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.72 -48.83 78.48 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.743 HD13 HD13 ' A' ' 29' ' ' LEU . 2.3 pp -63.18 -45.86 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.71 -25.66 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.39 -43.17 11.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.697 HG22 ' HB3' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.54 -35.67 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -84.0 -52.16 6.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -62.74 -66.85 2.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.36 67.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -94.4 126.99 40.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtp . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.502 0.191 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.27 -14.43 43.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.062 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.594 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.59 105.7 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.76 -34.02 62.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.7 ' HB3' HG22 ' A' ' 7' ' ' ILE . 11.1 mt-10 -92.23 -43.52 9.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER 38.2 30.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.806 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.0 tp -117.98 91.23 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.598 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.03 142.58 49.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' ' 31' ' ' PHE . 3.3 t -101.26 127.31 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.102 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.07 117.83 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.908 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.5 pp -136.61 111.06 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.857 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.5 p -132.59 130.84 59.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.824 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.8 m-20 -140.05 144.29 36.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CB ' ' CG ' ' A' ' 60' ' ' ASN . 3.8 t70 -58.56 -32.53 68.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -103.06 140.37 37.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.572 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.6 t -71.09 -41.32 76.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.41 -37.02 72.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.462 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.508 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.2 m -71.79 -57.26 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.944 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.04 -30.57 71.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 3.7 tt -71.04 -44.19 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.61 -57.06 12.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.971 HD13 HD11 ' A' ' 56' ' ' ILE . 1.9 pp -57.0 -47.36 81.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -66.05 -30.31 76.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 7.8 t0 -73.49 -48.41 33.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB1' ' CE ' ' A' ' 117' ' ' MET . . . -56.59 -44.78 81.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -72.01 -25.97 62.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.579 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -61.2 -49.8 75.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.501 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -64.03 -12.39 37.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.825 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -96.43 -14.03 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.588 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 67.17 31.27 77.1 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.21 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.73 -101.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.771 . . . . 0.0 110.962 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -162.4 -56.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.584 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -158.91 126.99 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.21 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -95.76 112.47 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.676 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -122.65 117.04 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.87 140.9 52.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.857 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.99 130.54 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.06 -90.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -145.91 -171.97 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -40.77 -43.82 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.492 ' CG ' ' HB2' ' A' ' 63' ' ' LYS . 4.9 mm-40 -67.15 -55.46 14.08 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.505 0.768 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.579 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -60.34 -45.11 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.721 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -69.92 -25.12 75.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.429 1.081 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.477 ' SD ' HD11 ' A' ' 69' ' ' LEU . 5.1 tpt -68.41 -49.73 57.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.521 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 2.0 ptmt -70.87 -32.56 69.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.579 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.2 mp -72.49 -33.18 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -79.38 -46.97 16.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.28 99.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 4.8 mm-40 -51.53 -19.95 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -138.16 -175.36 0.47 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.01 149.53 36.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.654 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 23.3 p-80 -165.21 157.14 15.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.592 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.806 ' CB ' HD12 ' A' ' 7' ' ' ILE . 41.6 t-80 -146.9 15.36 1.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.508 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.775 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.55 133.16 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.102 HG13 ' CD1' ' A' ' 10' ' ' LEU . 22.7 t -134.13 94.18 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.971 HD11 HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -113.74 136.67 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.534 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -144.15 171.37 14.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.42 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -98.16 -173.52 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -114.03 17.44 17.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 111.051 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.494 ' CG ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -58.5 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.672 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -160.03 48.76 0.27 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.672 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.03 137.14 21.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.492 ' HB2' ' CG ' ' A' ' 41' ' ' GLU . 27.1 mmtt -76.18 -19.66 58.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.439 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -136.96 80.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' GLY . 43.6 t0 -77.62 177.62 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.53 -63.01 0.29 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.3 mt -57.68 -45.34 85.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 0.719 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -49.66 -46.83 38.43 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.593 1.183 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.018 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -64.34 -40.21 95.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.06 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.31 -45.36 84.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.715 ' N ' HD13 ' A' ' 70' ' ' LEU . 8.8 mt-30 -61.82 -35.91 79.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.67 -45.02 72.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.08 HG12 HG23 ' A' ' 79' ' ' THR . 2.0 m -55.56 -36.96 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.569 ' NH2' HD22 ' A' ' 102' ' ' LEU . 7.5 mtm180 -59.42 -19.16 45.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.67 -23.51 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -131.74 113.75 15.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.0 -4.32 15.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.42 1.748 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.5 -30.76 64.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 1.08 HG23 HG12 ' A' ' 73' ' ' VAL . 15.0 t -106.17 7.15 31.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.529 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.51 -16.49 60.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' N ' ' HE2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -100.64 8.64 43.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.504 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.65 126.32 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.643 ' HB1' ' HB3' ' A' ' 106' ' ' ASN . . . -89.66 121.24 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.787 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.51 150.09 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 111.048 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.891 HD11 HD12 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -122.04 136.27 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.516 HG22 HG12 ' A' ' 107' ' ' VAL . 3.3 tt -133.46 113.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.0 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.3 129.3 42.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.589 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.2 t -151.28 161.8 42.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.79 38.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.173 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -124.51 -59.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.09 71.81 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.454 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -122.61 111.14 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -55.41 -24.48 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.89 -48.64 79.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -35.13 78.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 107' ' ' VAL . 59.3 t -61.42 -47.71 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -71.88 -30.97 65.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 3.6 ttmm -63.26 -54.91 29.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.53 -49.16 34.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.882 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.17 -28.89 28.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -92.06 -24.13 19.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.569 HD22 ' NH2' ' A' ' 74' ' ' ARG . 1.4 tt -66.35 -20.97 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.9 -25.1 0.92 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.882 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.73 140.95 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -79.67 -37.07 36.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.643 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.5 t-20 -171.62 125.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -124.92 112.43 31.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.891 HD12 HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.17 141.97 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.651 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -95.4 151.13 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -72.75 107.43 3.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.651 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.5 Cg_endo -74.98 158.39 42.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -89.43 -2.81 58.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.543 HG22 ' H ' ' A' ' 115' ' ' GLU . 47.2 m -120.83 146.32 46.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.509 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.8 pt -68.21 -23.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.543 ' H ' HG22 ' A' ' 113' ' ' THR . 0.6 OUTLIER -66.62 -44.27 82.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -39.06 59.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 109.239 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.551 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -71.31 -38.56 71.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 7.7 ttmt -72.14 -32.38 66.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.39 -47.22 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.23 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.65 -50.05 73.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.816 HD13 HD13 ' A' ' 29' ' ' LEU . 2.2 pp -62.18 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.09 -24.66 55.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.45 -42.91 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.631 HG22 ' HB3' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.15 -36.6 73.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -84.46 -52.65 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.494 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -61.64 -66.47 2.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.72 62.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.445 ' HA ' HD22 ' A' ' 128' ' ' LEU . 0.3 OUTLIER -95.99 127.12 41.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.512 0.196 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.1 -31.34 6.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.485 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -145.91 107.92 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.19 -36.25 65.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.502 ' C ' ' N ' ' A' ' 7' ' ' ILE . 17.6 mt-10 -93.81 -46.32 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' CA ' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 42.84 23.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.755 HG23 ' HG2' ' A' ' 32' ' ' LYS . 3.4 tp -124.95 92.73 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.674 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.64 141.09 52.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.825 HG21 ' HB2' ' A' ' 31' ' ' PHE . 4.7 t -103.41 128.89 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.088 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.23 117.38 33.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.905 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.2 pp -135.15 110.41 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 37' ' ' ALA . 13.8 p -133.56 130.62 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.854 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.9 m-20 -138.99 143.97 38.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.535 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.3 t70 -56.46 -34.51 66.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.16 141.65 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.56 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.8 t -70.02 -41.25 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.401 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -56.73 -36.35 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.482 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.11 -57.58 4.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.956 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.56 ' CG ' ' HA ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -61.96 -30.23 70.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 3.6 tt -71.55 -43.71 65.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 17' ' ' THR . 19.4 mt -63.32 -56.82 13.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.854 HD21 ' CG ' ' A' ' 13' ' ' ASP . 1.7 pp -58.24 -49.08 78.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -63.84 -30.54 78.01 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 6.9 t70 -74.41 -46.92 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.77 81.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.21 -25.47 61.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.581 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -60.63 -50.29 74.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -61.76 -13.0 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -96.39 -14.56 22.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.98 34.31 81.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.185 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.04 -103.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 111.019 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.755 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -162.92 -54.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.574 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.07 124.69 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.185 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.97 112.57 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.7 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -122.36 117.38 25.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 110.387 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.06 139.67 53.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.769 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.61 130.03 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.69 -89.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.555 1.159 . . . . 0.0 111.051 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.02 -171.87 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.18 -43.77 3.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 13.7 mt-10 -67.87 -55.6 12.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 0.792 . . . . 0.0 110.248 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.813 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -59.65 -42.76 93.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.708 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.23 -24.27 76.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.584 ' CE ' ' HB1' ' A' ' 72' ' ' ALA . 6.7 tpt -68.71 -49.97 54.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.81 -40.66 75.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.75 -33.15 61.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.862 ' SD ' HG22 ' A' ' 55' ' ' VAL . 33.2 ttp -77.94 -46.49 21.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.73 91.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.7 mm-40 -50.71 -19.97 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.646 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.05 -173.93 0.38 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.646 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.12 150.39 37.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.685 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 56.1 p-80 -168.64 155.01 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.682 ' CB ' HD12 ' A' ' 7' ' ' ILE . 58.7 t-80 -146.41 12.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.589 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.608 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -154.62 134.41 12.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.088 HG13 ' CD1' ' A' ' 10' ' ' LEU . 23.2 t -132.38 96.18 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.795 HD11 HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -116.08 136.09 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -143.86 170.88 15.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -96.99 -173.16 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -115.68 17.36 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.535 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -59.23 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.683 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 6.5 mtt -156.67 48.1 0.32 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.683 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.96 138.01 22.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.481 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 27.9 mmtt -75.95 -21.16 57.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.478 ' HE2' ' HB2' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -134.57 80.8 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.581 1.176 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 68' ' ' GLY . 29.4 t0 -77.32 176.2 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.961 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -31.72 -61.91 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.3 mt -57.12 -45.04 83.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -56.52 -41.69 89.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.961 HD12 ' HA2' ' A' ' 66' ' ' GLY . 1.2 mt -63.1 -41.26 99.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.082 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -59.17 -44.88 92.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.719 ' N ' HD13 ' A' ' 70' ' ' LEU . 80.4 mt-30 -59.47 -34.18 72.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.584 ' HB1' ' CE ' ' A' ' 44' ' ' MET . . . -68.42 -45.38 72.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.082 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.5 m -55.85 -36.57 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -20.67 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.28 -21.5 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -130.16 110.92 16.81 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.664 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.02 -5.0 16.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.29 -30.81 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.964 HG23 HG12 ' A' ' 73' ' ' VAL . 13.9 t -104.39 8.32 35.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.664 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -63.26 -22.8 67.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.02 8.2 41.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -92.19 122.43 34.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.633 ' HB3' HG22 ' A' ' 124' ' ' VAL . . . -90.21 121.63 32.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.817 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.95 150.6 21.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.564 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -122.41 134.79 64.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.368 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -131.16 113.59 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.026 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.07 129.32 42.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.608 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -151.51 161.4 42.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.434 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.7 38.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 2.3 mp0 -125.18 -58.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.17 71.33 0.5 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.562 1.164 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -125.86 119.18 27.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.42 -24.97 33.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.56 81.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.57 -35.29 78.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.724 HG13 HG13 ' A' ' 107' ' ' VAL . 59.2 t -61.36 -47.73 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.3 -30.77 65.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -59.96 -55.71 30.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.35 -48.47 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.27 -28.05 25.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.571 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.96 -22.57 17.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.855 HD13 ' O ' ' A' ' 102' ' ' LEU . 3.4 tm? -66.18 -21.18 66.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 148.25 -25.01 1.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.581 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -48.72 152.85 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 20.3 t30 -86.99 -39.78 15.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -171.64 126.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.724 HG13 HG13 ' A' ' 96' ' ' VAL . 13.4 p -128.16 112.12 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 1.8 mt -131.94 153.22 50.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.617 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -104.21 147.38 27.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.434 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -77.17 108.13 6.25 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.617 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.5 Cg_endo -74.94 158.22 42.56 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -4.39 52.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.6 m -111.39 143.72 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.406 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 2.9 pt -71.42 -24.77 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.07 -43.59 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -39.3 57.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.604 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 10.8 tmm? -71.92 -37.92 69.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 4.1 tttt -72.36 -32.94 66.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.87 -45.4 28.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.88 75.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.586 ' O ' HG12 ' A' ' 124' ' ' VAL . 2.1 pp -60.59 -44.71 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -55.11 -32.08 61.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.23 -42.61 18.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 109.354 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.633 HG22 ' HB3' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.7 -30.58 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -82.23 -64.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -56.11 -61.21 7.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.04 66.36 0.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -94.42 127.11 40.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.49 0.186 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.467 ' O ' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -140.6 -44.24 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -148.19 110.26 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.2 -35.69 69.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' C ' ' N ' ' A' ' 7' ' ' ILE . 21.4 mt-10 -95.7 -46.86 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.235 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 44.35 21.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.734 HD12 ' CB ' ' A' ' 53' ' ' HIS . 3.6 tp -125.69 93.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.71 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -123.63 142.08 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.843 HG21 ' HB2' ' A' ' 31' ' ' PHE . 6.1 t -104.13 127.75 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.208 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.103 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.07 117.12 32.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.897 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.3 pp -135.62 110.29 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.855 HG21 ' O ' ' A' ' 37' ' ' ALA . 9.2 p -132.07 130.5 61.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.912 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.4 m-20 -139.27 143.71 38.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.553 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 6.2 t0 -54.16 -48.36 70.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -89.55 143.95 26.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' LEU . 2.9 t -70.62 -42.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -35.91 72.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.479 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 1.4 m -71.14 -57.36 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.094 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.91 -28.84 70.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.99 -44.17 63.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.22 -57.25 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.912 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.8 OUTLIER -56.84 -49.44 75.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -63.13 -30.43 77.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' LEU . 9.3 t70 -74.97 -47.46 29.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.22 83.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.028 HD13 HD23 ' A' ' 29' ' ' LEU . 2.3 mm? -71.47 -26.39 62.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.572 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -60.72 -50.2 74.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 110.228 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.505 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -62.13 -12.72 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.352 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.028 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -96.88 -14.43 21.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.622 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.54 34.35 83.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.175 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.24 -103.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.729 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -163.35 -53.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.583 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.6 124.41 4.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.175 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.32 112.77 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.705 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.55 116.77 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.37 140.62 52.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.377 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.855 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.28 130.91 14.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.08 -90.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -145.93 -171.89 3.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.59 -44.38 3.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 11.6 mt-10 -66.94 -55.66 13.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.894 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -60.29 -44.89 94.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.771 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.96 -26.07 74.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.496 ' SD ' ' CB ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -68.49 -52.39 32.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.773 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -67.99 -32.88 73.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.894 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -71.88 -34.42 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.645 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -78.06 -46.65 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.412 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -63.13 -42.16 99.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 24.9 mm-40 -54.37 -19.41 5.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.06 -174.69 0.42 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.07 152.44 40.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.645 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 15.7 p-80 -171.92 158.15 4.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 109.552 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.734 ' CB ' HD12 ' A' ' 7' ' ' ILE . 39.4 t-80 -146.76 13.99 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.612 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.604 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -155.98 133.94 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.103 HG13 ' CD1' ' A' ' 10' ' ' LEU . 22.5 t -132.39 94.64 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.675 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -114.23 138.08 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 4.5 t -144.29 170.99 14.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -97.15 -172.38 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -117.76 17.15 14.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.553 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -59.96 -80.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.689 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 5.6 mtt -156.44 47.98 0.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -74.99 136.83 20.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 15.8 mmtt -76.31 -20.11 57.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.376 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -134.31 81.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLY . 24.2 t0 -76.49 173.14 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.586 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -33.04 -58.49 0.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.2 mt -58.04 -45.29 87.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.97 -43.5 87.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.016 HD22 HG11 ' A' ' 55' ' ' VAL . 1.5 mt -64.5 -39.34 93.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.063 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -60.47 -48.84 80.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -57.23 -35.97 70.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.496 ' CB ' ' SD ' ' A' ' 44' ' ' MET . . . -67.16 -46.09 75.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.063 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -56.06 -36.4 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.226 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.423 ' CZ ' ' O ' ' A' ' 102' ' ' LEU . 7.8 mtt180 -60.71 -20.77 61.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.25 -21.94 14.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -129.6 112.74 17.81 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.514 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -74.99 -5.49 16.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.549 1.815 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.32 -34.75 65.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 1.009 HG23 HG12 ' A' ' 73' ' ' VAL . 13.3 t -101.48 6.12 42.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.347 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.49 -8.81 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.85 7.8 30.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.62 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.49 127.79 49.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.567 ' HB3' HG22 ' A' ' 124' ' ' VAL . . . -89.41 120.69 30.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.811 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.17 148.59 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.675 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -120.72 136.09 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -133.82 111.66 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.019 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.56 129.94 42.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.574 ' N ' HD22 ' A' ' 87' ' ' LEU . 3.8 t -151.88 161.82 42.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 110.464 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.4 39.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -126.04 -60.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.86 74.65 0.2 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -126.72 120.9 30.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.347 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -26.13 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.96 83.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.77 -35.75 79.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.647 HG13 HG13 ' A' ' 107' ' ' VAL . 58.8 t -61.12 -47.54 93.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 2.8 tt0 -72.03 -30.75 65.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.249 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -62.07 -55.08 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.39 -48.46 33.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.275 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.8 -27.82 31.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.3 -21.39 17.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.903 HD13 ' O ' ' A' ' 102' ' ' LEU . 3.2 tm? -66.82 -22.22 66.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.56 -17.57 2.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.9 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -53.89 144.45 18.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 14.8 t30 -81.18 -35.87 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.525 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.4 m-20 -171.85 126.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.647 HG13 HG13 ' A' ' 96' ' ' VAL . 14.3 p -128.22 112.05 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -134.68 140.35 45.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.616 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -86.39 149.51 24.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.552 ' CG ' ' O ' ' A' ' 110' ' ' LYS . 0.7 OUTLIER -74.56 108.26 4.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.616 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.3 Cg_endo -74.96 158.25 42.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.38 -4.04 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.5 m -114.94 146.78 40.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.6 pt -68.52 -24.48 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.09 -44.26 80.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.44 ' HB3' ' CB ' ' A' ' 111' ' ' PRO . 41.6 mttm -75.85 -39.45 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.529 ' O ' ' CG1' ' A' ' 121' ' ' ILE . 12.8 tmm? -70.97 -39.2 72.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 2.8 tttt -71.42 -32.32 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.05 -47.01 21.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.94 78.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.37 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.693 HG21 ' CD2' ' A' ' 29' ' ' LEU . 2.3 pp -62.77 -45.78 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -56.71 -26.04 55.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.351 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.14 -42.96 11.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.567 HG22 ' HB3' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.58 -33.83 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -84.65 -54.1 4.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -61.77 -65.36 3.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.1 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.498 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.61 67.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 0.721 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -93.83 127.06 39.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 mtp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.512 0.196 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.35 -16.18 9.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.518 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -144.48 106.0 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.9 -35.06 63.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.397 1.061 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.894 ' HB3' HG22 ' A' ' 7' ' ' ILE . 6.8 mt-10 -92.46 -42.94 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.534 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER 39.04 30.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.894 HG22 ' HB3' ' A' ' 5' ' ' GLU . 2.6 tp -109.64 90.41 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.97 143.9 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.857 HG21 ' HB2' ' A' ' 31' ' ' PHE . 11.4 t -102.52 125.43 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.091 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.09 116.06 31.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.864 ' N ' HD22 ' A' ' 10' ' ' LEU . 5.4 pt -136.08 110.32 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.832 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.3 p -131.34 132.5 62.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.865 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.7 m-20 -139.41 143.7 37.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.518 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -55.13 -50.7 68.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -85.69 142.94 28.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.55 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 t -69.65 -40.97 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.407 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -56.62 -34.78 67.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.399 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.498 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -73.42 -57.82 3.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.645 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.42 -30.69 70.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -71.33 -44.16 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 17' ' ' THR . 17.9 mt -59.95 -57.4 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.865 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.75 -49.79 72.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.55 -29.92 75.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' LEU . 29.8 t0 -76.72 -48.63 18.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.1 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.054 HD13 HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -71.32 -27.29 63.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.564 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 1.7 mm-40 -60.25 -47.77 84.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.275 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -13.1 62.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.054 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -92.68 -11.87 32.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.589 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 64.21 27.56 71.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.013 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.199 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -18.67 -99.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -161.04 -56.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.625 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.54 128.44 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.199 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -92.17 111.32 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.628 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -125.16 114.58 19.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -126.28 142.54 51.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.832 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.5 130.72 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.97 -89.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -146.26 -172.11 3.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.5 -44.58 3.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.489 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 12.0 mt-10 -67.64 -55.49 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.853 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.41 -42.74 92.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.762 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.98 -24.41 76.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.483 ' HG2' ' CE ' ' A' ' 64' ' ' MET . 2.9 tpt -68.69 -47.78 65.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -70.61 -38.84 74.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.853 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -67.53 -34.07 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.687 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -78.96 -45.21 20.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 0.0 110.959 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.14 95.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 2.7 mm100 -52.76 -19.79 2.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.25 -175.24 0.46 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.98 150.86 38.9 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.687 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 45.6 p-80 -165.49 156.61 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.626 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.798 ' CB ' HD12 ' A' ' 7' ' ' ILE . 44.0 t-80 -146.95 13.62 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.659 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -157.05 133.96 10.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.091 HG13 ' CD1' ' A' ' 10' ' ' LEU . 40.0 t -133.99 95.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.815 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.65 136.4 51.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -143.62 170.89 14.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.03 -173.8 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -114.17 17.79 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.518 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -59.17 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.681 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 2.2 mtm -157.47 48.77 0.33 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.06 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.681 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.01 138.88 23.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.431 1.753 . . . . 0.0 110.962 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.489 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 42.4 mmtt -77.02 -20.25 56.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.231 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.535 ' CE ' ' HB2' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -137.65 85.84 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 111.055 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.626 ' OD1' HD13 ' A' ' 86' ' ' ILE . 28.8 t0 -78.39 175.57 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.83 -59.77 0.69 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.5 mt -56.55 -44.33 80.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.21 -42.72 63.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.983 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -64.49 -41.93 96.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 109.268 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.057 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.25 -45.43 83.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.738 ' N ' HD13 ' A' ' 70' ' ' LEU . 4.5 mt-30 -61.33 -35.64 77.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.37 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.535 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -68.92 -44.56 72.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.081 HG12 HG23 ' A' ' 79' ' ' THR . 2.0 m -55.75 -36.66 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -60.16 -19.16 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.339 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.8 -20.79 13.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.624 1.203 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -133.06 112.87 13.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.372 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.586 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -4.93 16.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.557 1.82 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.88 66.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 1.081 HG23 HG12 ' A' ' 73' ' ' VAL . 13.4 t -106.16 7.66 31.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.586 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.9 -12.52 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 7.77 29.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.557 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.81 125.5 44.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.558 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.78 121.03 31.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.8 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.44 149.6 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.99 HD11 HD12 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -121.25 136.22 58.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.626 HD13 ' OD1' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -133.46 112.67 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.344 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.019 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.82 130.02 41.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.643 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -150.9 161.27 43.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.391 1.057 . . . . 0.0 110.405 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.62 38.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.16 -59.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 46.46 74.86 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -126.77 118.21 24.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -26.3 39.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.31 82.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -36.14 82.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.354 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 53.0 t -61.43 -47.26 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.0 OUTLIER -71.9 -31.53 66.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -61.08 -54.96 38.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.71 -48.08 34.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.613 1.195 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.27 -28.2 40.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.64 -21.63 18.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 12.5 tp -66.96 -22.17 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.13 -21.59 1.75 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.44 143.18 5.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 31.9 t30 -76.52 -38.81 54.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.474 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.0 m-20 -172.62 125.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -122.05 112.75 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.99 HD12 HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -126.58 150.61 48.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.253 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.617 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -91.61 155.43 18.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.473 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 5.9 ttpt -109.71 84.74 3.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.617 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.2 Cg_endo -74.97 156.52 43.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -12.27 61.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.12 141.02 29.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.5 pt -73.84 -26.67 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.45 -47.65 78.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.406 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . 1.4 mttt -76.36 -44.71 35.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.212 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.489 ' HE3' HD21 ' A' ' 26' ' ' LEU . 8.8 tpt -62.53 -42.59 99.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -69.85 -30.92 68.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.27 -46.9 63.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.91 -51.98 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.653 HD12 ' N ' ' A' ' 122' ' ' GLU . 2.8 pp -62.09 -45.42 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.653 ' N ' HD12 ' A' ' 121' ' ' ILE . 0.6 OUTLIER -56.42 -25.6 50.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 127' ' ' ALA . . . -88.48 -41.57 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.621 HG23 HD11 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -61.65 -32.23 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -92.89 -53.29 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.477 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -62.87 -60.62 7.42 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.54 1.15 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.45 61.59 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -95.74 127.05 41.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' SER . 63.7 mtp . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.481 0.181 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -37.13 -35.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.555 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -144.58 106.77 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.33 -34.86 61.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.699 ' HB3' HG22 ' A' ' 7' ' ' ILE . 10.2 mt-10 -91.88 -44.01 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER 38.65 30.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.847 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.6 tp -118.25 91.33 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.71 141.86 50.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.789 HG21 ' HB2' ' A' ' 31' ' ' PHE . 9.9 t -101.42 125.94 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.11 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.76 116.67 32.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.885 ' N ' HD22 ' A' ' 10' ' ' LEU . 9.7 pt -136.6 110.15 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 37' ' ' ALA . 12.5 p -132.55 130.1 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.813 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -138.62 141.4 39.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.553 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 6.6 t0 -50.85 -50.84 55.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.66 143.32 27.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' LEU . 2.6 t -70.06 -42.95 79.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -57.16 -34.97 68.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.495 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.2 m -72.18 -57.2 4.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.555 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.99 -28.69 69.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -73.11 -43.44 61.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 17' ' ' THR . 17.1 mt -61.13 -57.29 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.982 HD13 HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -56.17 -49.51 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.49 ' HA2' ' CD1' ' A' ' 11' ' ' ILE . . . -63.51 -30.34 77.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.118 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 63.5 t0 -74.8 -48.04 27.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.8 81.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.77 -25.87 62.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.562 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.27 -50.46 73.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.511 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -62.11 -12.57 20.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.805 HD22 HD13 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -97.99 -14.62 20.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.61 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.64 34.7 84.41 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.221 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.97 -103.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.532 ' HG2' HG23 ' A' ' 7' ' ' ILE . 15.9 tptt -162.29 -55.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.593 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.1 125.37 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.221 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.2 pt -94.96 111.83 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.639 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -122.87 116.27 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.58 140.78 52.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.769 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.87 129.53 13.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 35.09 -88.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.93 -171.67 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -42.28 -39.44 3.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.418 1.074 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 2.0 tt0 -69.5 -58.02 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.872 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.57 -43.04 93.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.645 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.59 -25.3 75.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 7.2 tpt -68.64 -48.36 64.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -71.62 -39.46 70.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.872 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -64.93 -34.45 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.688 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -79.14 -45.06 20.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 111.0 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.426 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.92 -41.62 95.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 6.2 mm-40 -54.48 -19.4 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.632 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.69 -175.2 0.46 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.06 149.18 36.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.688 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 46.9 p-80 -164.99 158.33 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.621 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.847 ' CB ' HD12 ' A' ' 7' ' ' ILE . 58.3 t-80 -146.19 14.24 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.564 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.695 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -157.85 133.76 9.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.11 HG13 ' CD1' ' A' ' 10' ' ' LEU . 23.0 t -133.74 94.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.982 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.1 138.75 42.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -144.6 169.89 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.474 ' HB2' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -96.97 -172.47 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -117.71 17.11 14.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.553 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -60.6 -80.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.696 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 3.1 mtp -156.47 47.28 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.696 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -75.11 137.06 20.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . 3.6 mmtp -76.95 -19.88 56.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.438 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -134.24 80.12 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 68' ' ' GLY . 26.3 t0 -76.85 173.96 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.475 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -32.24 -60.03 0.37 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.4 mt -58.12 -46.69 85.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -52.96 -45.88 61.42 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.976 HD22 ' CG1' ' A' ' 55' ' ' VAL . 1.3 mt -63.24 -39.03 93.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.083 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -61.19 -48.76 80.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.373 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -56.6 -35.2 67.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.63 74.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.083 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.3 m -56.39 -36.4 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.599 ' NH2' HD21 ' A' ' 102' ' ' LEU . 10.4 mtm180 -61.0 -17.31 51.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.7 -21.87 13.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.481 ' ND2' ' HB3' ' A' ' 78' ' ' ALA . 8.8 t30 -133.24 113.47 13.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.575 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.6 Cg_endo -74.97 -5.74 17.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.481 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . . . -69.61 -26.6 64.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 1.03 HG23 HG12 ' A' ' 73' ' ' VAL . 10.5 t -111.08 6.14 20.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.475 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.575 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.96 -12.33 60.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 7.76 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.606 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.38 127.74 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.62 121.73 32.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.8 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.31 149.17 22.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -120.53 135.96 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -133.58 111.55 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.006 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.09 130.81 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.584 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -151.01 161.62 42.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.08 38.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.484 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.06 -58.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.377 1.048 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.9 71.4 0.57 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 96' ' ' VAL . 1.2 m-20 -125.73 114.24 18.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -25.16 35.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.71 80.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -35.83 78.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 107' ' ' VAL . 60.3 t -61.08 -47.7 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -72.02 -31.28 66.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.36 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 5.6 ttmm -61.11 -55.28 34.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.55 -49.02 28.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.843 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.13 -28.02 23.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.0 -21.42 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.599 HD21 ' NH2' ' A' ' 74' ' ' ARG . 10.5 tt -67.21 -22.21 65.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.84 -21.69 0.7 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.881 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -54.7 143.36 25.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 80' ' ' LYS . 22.7 t30 -80.53 -36.11 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.535 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -171.86 126.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.681 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -126.19 112.25 29.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 2.9 mt -130.31 151.02 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.676 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -109.72 147.46 33.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.434 ' CE ' ' HB3' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.84 106.95 4.98 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 109.362 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.676 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.3 Cg_endo -75.12 158.24 41.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.963 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -73.12 -2.42 21.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.5 m -116.26 143.07 46.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 110.399 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.526 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 2.5 pt -72.05 -25.24 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -65.09 -42.92 93.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.463 ' HB2' ' CG ' ' A' ' 111' ' ' PRO . 1.3 mtpp -74.54 -44.41 51.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.608 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 3.9 tpp -67.34 -38.87 85.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 4.6 tttm -70.83 -32.35 69.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.33 -46.74 31.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.76 72.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.805 HD13 HD22 ' A' ' 29' ' ' LEU . 2.0 pp -61.26 -45.84 97.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -56.29 -27.05 54.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.76 -40.95 14.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 121' ' ' ILE . 0.3 OUTLIER -62.45 -30.56 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -87.72 -61.06 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -58.4 -58.12 16.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.75 65.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.753 . . . . 0.0 109.329 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -93.96 126.96 39.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.229 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtp . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.477 0.18 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.18 -41.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.031 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.46 ' HG ' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -146.65 108.49 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.54 -36.23 64.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.495 ' C ' ' N ' ' A' ' 7' ' ' ILE . 10.7 mt-10 -92.85 -45.81 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.87 26.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.646 HG23 ' HG2' ' A' ' 32' ' ' LYS . 2.6 tp -123.37 91.36 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.67 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -125.02 138.11 54.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.803 HG21 ' HB2' ' A' ' 31' ' ' PHE . 8.3 t -102.09 127.7 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.111 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.34 117.03 32.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.199 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.892 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.5 pp -134.7 109.65 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.781 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.4 p -133.26 129.21 56.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.821 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.6 m-20 -139.18 143.41 38.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.47 ' HB2' ' CB ' ' A' ' 60' ' ' ASN . 3.2 t70 -53.98 -50.32 66.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.12 142.55 28.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 3.3 t -70.32 -43.05 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.413 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -57.07 -36.24 70.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 110.353 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.469 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.3 m -72.39 -57.21 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.605 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.76 -29.21 70.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -72.54 -44.3 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 17' ' ' THR . 14.3 mt -58.55 -57.01 14.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.955 HD13 HD11 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -55.36 -49.94 70.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.06 -29.34 74.07 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 15.0 t70 -77.03 -47.85 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.835 ' HB1' ' SD ' ' A' ' 117' ' ' MET . . . -59.19 -48.28 82.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.382 1.051 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.983 HD13 HD23 ' A' ' 29' ' ' LEU . 2.3 mm? -71.22 -26.89 63.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.591 1.182 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.61 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.2 mm-40 -61.17 -48.86 79.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.54 -12.65 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.983 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -95.67 -13.41 24.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.623 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 68.31 33.72 78.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.177 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.73 -103.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.991 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.646 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -163.85 -53.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.6 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.55 124.41 5.03 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.177 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.3 112.44 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.687 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.98 116.31 22.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.36 140.64 52.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.781 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.9 129.81 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.63 -88.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -148.9 -172.74 4.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 0.801 . . . . 0.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.6 -43.49 2.24 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 4.1 mt-10 -65.67 -56.93 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.725 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.8 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -61.0 -43.87 98.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.226 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.583 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.48 -25.9 74.61 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -48.93 55.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 0.81 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -70.43 -41.73 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -66.8 -32.29 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.837 ' SD ' HG22 ' A' ' 55' ' ' VAL . 32.3 ttp -79.37 -46.45 17.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.2 93.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.3 mm100 -52.13 -19.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.637 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.48 -174.56 0.41 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.637 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.09 149.6 36.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.692 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 49.7 p-80 -166.18 155.76 11.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.67 ' N ' ' O ' ' A' ' 8' ' ' LYS . 9.1 t60 -147.45 12.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.537 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.62 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.31 135.82 12.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.111 HG13 ' CD1' ' A' ' 10' ' ' LEU . 26.2 t -133.68 97.14 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.955 HD11 HD13 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -115.46 133.46 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.472 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.0 t -142.71 170.16 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.428 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -97.23 -174.3 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -113.2 17.59 18.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -58.55 -81.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.676 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 16.9 ptm -159.24 48.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.676 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.02 137.58 21.85 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.434 1.755 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 37.9 mmtt -76.81 -19.71 57.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.483 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.9 OUTLIER -135.49 83.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.0 t70 -78.37 172.9 12.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.502 ' HA3' HG23 ' A' ' 86' ' ' ILE . . . -35.54 -57.9 0.92 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.5 mt -57.25 -43.83 83.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 0.741 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.73 -40.82 72.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.032 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -64.93 -42.14 94.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.02 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -56.81 -44.59 82.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.738 ' N ' HD13 ' A' ' 70' ' ' LEU . 9.8 mt-30 -62.82 -35.58 80.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.22 -44.94 71.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.086 HG12 HG23 ' A' ' 79' ' ' THR . 1.8 m -55.86 -36.87 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.077 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -59.93 -18.49 45.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.51 -21.71 13.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.7 113.38 12.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.586 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.99 -5.57 16.96 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.64 -25.21 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 1.086 HG23 HG12 ' A' ' 73' ' ' VAL . 11.7 t -113.9 6.44 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.586 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -70.57 -13.34 62.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 8.14 30.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.99 124.99 42.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.634 ' HB1' ' HB3' ' A' ' 106' ' ' ASN . . . -89.62 121.16 31.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.797 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.57 148.65 23.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.641 HG13 ' CB ' ' A' ' 108' ' ' LEU . 0.2 OUTLIER -119.1 137.32 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.549 HD11 HG21 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -132.69 113.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.02 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.59 128.74 41.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.558 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -152.83 161.98 41.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.148 . . . . 0.0 110.374 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.49 38.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.469 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.37 -59.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 43.18 74.04 0.21 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.9 124.53 39.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -55.13 -26.84 41.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.61 80.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -35.56 81.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.036 HG13 HG13 ' A' ' 107' ' ' VAL . 62.0 t -60.75 -47.84 91.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.27 -29.73 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 24.4 ttmt -61.11 -56.38 21.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.58 -47.92 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.52 -28.04 29.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -94.88 -22.9 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -65.75 -21.64 66.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.56 -20.13 2.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.458 ' N ' HD23 ' A' ' 70' ' ' LEU . . . -45.6 140.95 3.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 12.7 t30 -70.7 -42.79 70.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.634 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.5 t-20 -171.79 126.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 1.036 HG13 HG13 ' A' ' 96' ' ' VAL . 9.9 p -113.94 116.21 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.925 HD21 ' O ' ' A' ' 120' ' ' ALA . 0.8 OUTLIER -115.97 156.42 26.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.655 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -108.77 160.01 16.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.23 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.568 ' CD ' ' CG2' ' A' ' 85' ' ' ILE . 23.1 mtpt -109.51 79.75 1.39 Allowed Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.655 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.2 Cg_endo -75.0 157.45 42.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -80.61 -6.51 58.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.11 142.93 31.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.0 pt -71.67 -26.21 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.45 -44.66 86.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.472 ' HB2' ' CG ' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -74.8 -45.2 45.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.835 ' SD ' ' HB1' ' A' ' 25' ' ' ALA . 1.9 ttt -64.95 -41.13 95.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 11.9 ttpt -69.05 -31.56 70.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.58 -44.54 57.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.925 ' O ' HD21 ' A' ' 108' ' ' LEU . . . -56.88 -53.65 55.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.698 HG21 HD22 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -56.97 -43.93 81.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.68 -28.09 60.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.347 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.17 -45.6 13.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.607 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -56.59 -35.97 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -82.94 -49.85 9.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -63.28 -71.42 0.84 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.565 1.166 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.68 60.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 0.805 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -94.16 127.24 39.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.37 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.521 0.2 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.79 -45.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.499 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -141.73 118.09 10.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.7 -41.32 70.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.495 ' C ' ' N ' ' A' ' 7' ' ' ILE . 10.1 mt-10 -90.63 -46.48 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.163 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 41.79 24.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.596 HG23 ' HG2' ' A' ' 32' ' ' LYS . 2.6 tp -123.49 91.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -125.08 139.97 53.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.763 HG21 ' HB2' ' A' ' 31' ' ' PHE . 9.1 t -105.2 127.63 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.119 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.95 117.46 33.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.908 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.7 pp -135.44 110.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.3 p -132.43 129.69 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.852 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.8 m-20 -139.33 144.02 38.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.54 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.7 t70 -55.28 -51.12 67.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.74 142.83 28.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.349 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.6 t -69.76 -42.11 80.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.411 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -58.1 -35.18 71.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.422 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.478 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.69 -56.99 4.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.615 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.61 -29.39 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.409 1.068 . . . . 0.0 110.261 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -72.05 -43.62 64.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 17' ' ' THR . 15.2 mt -59.73 -56.96 15.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.975 HD13 HD11 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -55.87 -50.41 70.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.233 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -62.14 -30.97 77.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 12.5 t70 -75.79 -48.11 23.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB1' ' SD ' ' A' ' 117' ' ' MET . . . -57.0 -45.72 82.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mp -71.39 -26.59 62.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -59.71 -51.0 71.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.52 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -63.0 -12.44 25.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.757 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -98.05 -14.92 20.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.629 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.31 35.98 88.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.178 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.26 -104.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.966 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.596 ' HG2' HG23 ' A' ' 7' ' ' ILE . 9.7 tptt -164.3 -53.94 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.634 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 47.1 tp60 -156.42 122.7 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.178 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -95.32 112.55 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.688 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -124.67 116.75 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.09 141.24 52.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.849 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.34 130.83 14.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.74 -91.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.02 -172.12 3.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.46 -44.54 2.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 9.4 mt-10 -66.39 -56.11 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.87 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.73 -46.4 90.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.753 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -67.18 -25.65 73.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.497 ' SD ' ' CB ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -69.33 -51.82 33.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HG3' HD12 ' A' ' 46' ' ' ILE . 2.5 pttt -69.74 -30.45 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.87 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -72.9 -36.91 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -76.43 -46.63 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.415 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.37 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.237 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 5.4 mm-40 -52.04 -20.0 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.61 -174.83 0.43 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.1 152.82 40.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.569 1.826 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.652 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 19.0 p-80 -170.82 157.82 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.652 ' N ' ' O ' ' A' ' 8' ' ' LYS . 50.8 t-80 -146.08 14.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.647 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.636 HD21 HG11 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -156.16 133.0 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.119 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.9 t -132.35 94.85 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.975 HD11 HD13 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -113.56 137.52 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.524 ' N ' HD12 ' A' ' 56' ' ' ILE . 3.7 t -144.27 170.85 15.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -99.14 -173.77 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -116.39 16.65 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.54 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -57.92 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.067 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.667 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 3.9 ptm -158.72 49.68 0.34 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -74.95 138.5 23.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 18.9 mmtt -76.02 -20.23 57.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.498 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 2.5 tpt -136.23 84.66 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.4 t70 -76.25 172.99 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.75 -56.77 0.79 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.418 1.074 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.5 mt -56.87 -44.94 82.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -58.15 -39.79 92.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.054 HD12 HG11 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -65.3 -45.03 85.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.067 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.11 -43.38 87.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.727 ' N ' HD13 ' A' ' 70' ' ' LEU . 3.2 mt-30 -59.87 -36.0 75.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' CB ' ' SD ' ' A' ' 44' ' ' MET . . . -68.54 -45.31 72.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.067 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.1 m -55.58 -36.41 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -59.62 -20.3 54.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.1 -23.32 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 78' ' ' ALA . 11.5 t30 -132.42 113.43 14.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.534 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.96 -6.01 17.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.552 1.817 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . . . -70.54 -30.8 67.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 1.052 HG23 HG12 ' A' ' 73' ' ' VAL . 15.0 t -105.78 6.93 32.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.534 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -77.32 -7.0 55.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.362 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.1 9.02 30.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.551 ' CB ' ' NE2' ' A' ' 52' ' ' HIS . . . -104.68 128.08 52.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.663 ' HB3' HG22 ' A' ' 124' ' ' VAL . . . -89.28 122.29 32.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.795 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.86 148.47 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.576 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.79 135.66 60.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.943 HD11 ' CG2' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -135.18 112.84 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.012 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -96.42 130.22 43.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.6 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -151.64 161.48 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.88 38.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.474 ' H ' ' C ' ' A' ' 88' ' ' THR . 3.0 mp0 -124.66 -59.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.19 74.39 0.21 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.134 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -126.31 120.61 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -25.47 37.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.66 80.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -35.76 80.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.749 HG13 HG13 ' A' ' 107' ' ' VAL . 60.9 t -61.39 -47.4 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.566 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 6.6 tt0 -72.02 -30.56 65.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 3.9 ttpp -62.38 -55.16 30.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.3 -48.54 33.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.72 -28.0 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -94.76 -22.43 18.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.901 HD13 ' O ' ' A' ' 102' ' ' LEU . 1.3 tm? -66.4 -21.48 66.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.93 -19.19 2.35 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.96 139.0 10.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 27.4 t30 -74.96 -38.37 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.584 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -171.76 125.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.943 ' CG2' HD11 ' A' ' 86' ' ' ILE . 9.8 p -125.14 112.52 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.653 HD11 HG23 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -128.64 138.06 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.653 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -99.06 150.38 22.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.414 ' HZ3' HD12 ' A' ' 87' ' ' LEU . 12.7 mtpt -74.3 107.25 3.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.679 ' HG2' ' N ' ' A' ' 117' ' ' MET . 18.4 Cg_endo -74.96 158.72 42.19 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -80.05 -3.55 49.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.5 m -116.62 144.27 44.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.52 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 2.7 pt -71.19 -24.67 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.367 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -44.33 79.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -75.84 -37.34 59.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.679 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 0.4 OUTLIER -73.09 -38.64 66.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 37.2 tttm -71.61 -33.13 68.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.31 -46.07 24.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.93 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.732 HD13 HD22 ' A' ' 29' ' ' LEU . 2.3 pp -61.02 -46.69 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.421 ' N ' HD12 ' A' ' 121' ' ' ILE . 6.7 mt-10 -57.16 -26.46 60.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.56 15.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.663 HG22 ' HB3' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -61.41 -30.71 48.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -86.05 -53.04 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -63.6 -66.13 2.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.495 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.07 67.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -89.61 126.97 35.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.2 mtp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.529 0.204 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.5 -33.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -145.47 117.51 8.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.08 -39.66 69.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 7' ' ' ILE . 17.6 mt-10 -90.35 -45.3 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.15 27.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.833 HD12 ' CB ' ' A' ' 53' ' ' HIS . 4.0 tp -121.4 91.34 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.77 141.36 51.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.29 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.817 HG21 ' HB2' ' A' ' 31' ' ' PHE . 11.9 t -101.83 127.36 55.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.107 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.82 117.18 33.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.899 ' N ' HD22 ' A' ' 10' ' ' LEU . 9.2 pt -136.37 110.95 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.809 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.0 p -132.94 130.99 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.839 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.2 m-20 -139.37 144.21 38.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.484 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.3 t70 -54.36 -48.1 71.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.14 141.52 28.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.255 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.546 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.5 t -68.82 -40.86 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -34.96 66.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.3 m -73.05 -57.67 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.01 -29.55 70.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.332 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -72.81 -44.52 61.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.39 -57.12 13.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.985 HD13 HD11 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -56.76 -50.01 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -62.34 -30.77 77.12 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.438 1.086 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 25.8 t0 -75.45 -47.89 25.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 0.824 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.88 83.12 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.67 -25.93 62.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.544 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -59.82 -50.85 72.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.512 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -61.76 -12.83 18.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 110.335 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -97.42 -14.66 21.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.61 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 66.92 35.18 89.14 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.207 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.32 -103.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.955 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -162.89 -54.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.611 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -157.95 125.33 5.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.207 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.33 111.47 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.648 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.33 116.54 23.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.72 140.35 52.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.809 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.62 130.85 14.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.77 -88.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -147.43 -172.01 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 0.793 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.21 -44.19 3.73 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.463 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.3 mt-10 -67.48 -55.01 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.515 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.76 -43.43 94.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.693 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.09 -23.96 77.2 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.594 1.184 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.436 ' HE3' ' HB2' ' A' ' 48' ' ' ALA . 7.9 tpt -68.2 -50.63 53.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -68.87 -42.08 77.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.515 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -65.18 -33.07 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.817 ' SD ' HG22 ' A' ' 55' ' ' VAL . 31.4 ttp -77.88 -46.5 21.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.09 -44.3 92.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.36 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -50.17 -20.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.639 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.75 -174.55 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.0 150.14 37.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.661 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 55.0 p-80 -165.78 155.55 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.544 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.833 ' CB ' HD12 ' A' ' 7' ' ' ILE . 43.2 t-80 -146.5 13.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.612 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.653 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.36 134.69 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.343 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.107 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.4 t -133.73 94.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.985 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -113.4 137.43 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.464 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -144.48 170.61 15.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.32 -174.18 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -113.86 16.03 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -57.96 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.667 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -159.29 48.99 0.29 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.04 138.96 23.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 40.8 mmtt -76.09 -19.74 58.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.455 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -135.74 78.88 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' GLY . 46.8 t0 -76.37 175.86 8.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.895 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -31.84 -62.16 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.5 mt -57.61 -45.61 85.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.64 -41.22 73.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.961 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -65.25 -41.8 93.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.072 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -59.59 -44.93 93.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.734 ' N ' HD13 ' A' ' 70' ' ' LEU . 4.7 mt-30 -60.59 -35.79 76.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.12 73.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.072 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.1 m -55.91 -36.68 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -60.01 -19.14 51.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.9 -22.73 13.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -129.33 113.32 18.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.551 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.2 -35.21 66.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 1.01 HG23 HG12 ' A' ' 73' ' ' VAL . 15.3 t -102.16 6.46 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -73.35 -11.72 60.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -107.44 8.09 29.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.24 128.75 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.546 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.58 121.73 32.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.814 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.84 148.76 22.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.577 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.78 136.53 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.171 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 tt -134.36 111.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.015 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.61 129.62 42.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.589 ' N ' HD22 ' A' ' 87' ' ' LEU . 5.7 t -151.92 162.73 40.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.05 38.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.534 ' HB2' HG23 ' A' ' 88' ' ' THR . 2.7 mp0 -125.34 -60.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.14 72.28 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.558 1.161 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -125.58 120.79 31.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 0.779 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -55.59 -25.93 41.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.69 80.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -35.51 79.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.026 HG13 HG13 ' A' ' 107' ' ' VAL . 59.6 t -61.29 -47.63 92.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.26 -29.13 63.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 1.3 ttpt -61.86 -55.92 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.04 -47.92 33.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.54 -27.79 27.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.41 -20.56 17.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.0 tp -66.11 -22.52 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.27 -19.17 1.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.578 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -48.18 154.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.733 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 37.9 t30 -85.63 -42.62 14.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.513 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -170.38 126.82 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 1.026 HG13 HG13 ' A' ' 96' ' ' VAL . 7.1 p -120.71 113.7 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.911 HD23 HG23 ' A' ' 124' ' ' VAL . 3.1 mm? -122.68 152.54 40.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.525 ' C ' ' HD3' ' A' ' 111' ' ' PRO . . . -104.39 152.42 22.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.447 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -115.15 75.86 4.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.525 ' HD3' ' C ' ' A' ' 109' ' ' ALA . 18.3 Cg_endo -75.02 157.43 42.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.17 -8.67 32.94 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.426 1.078 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.66 139.87 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 110.415 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.571 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.8 pt -74.63 -27.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -50.0 67.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.49 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . 5.7 mmtt -76.31 -40.04 52.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.49 ' O ' ' CG1' ' A' ' 121' ' ' ILE . 1.3 tmt? -65.84 -41.98 91.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.571 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 33.8 ttpt -68.55 -33.44 74.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.49 -47.58 47.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.567 ' HB1' ' HB3' ' A' ' 108' ' ' LEU . . . -57.31 -52.41 65.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.558 ' O ' HG12 ' A' ' 124' ' ' VAL . 1.8 pp -60.82 -44.62 97.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.221 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.97 -26.67 49.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.31 -45.08 10.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.911 HG23 HD23 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -59.62 -32.09 48.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -85.57 -54.16 4.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.049 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -61.43 -67.32 2.17 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.83 66.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -95.24 127.18 41.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.3 mtp . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.48 0.181 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.15 -35.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.949 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.519 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -146.93 118.34 7.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.238 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.75 -40.69 72.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.233 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' C ' ' N ' ' A' ' 7' ' ' ILE . 14.6 mt-10 -90.35 -45.33 9.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.34 27.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.611 HG23 ' HG2' ' A' ' 32' ' ' LYS . 3.2 tp -121.97 89.59 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.39 1.056 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -124.8 138.2 54.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.786 HG21 ' HB2' ' A' ' 31' ' ' PHE . 13.7 t -102.46 126.8 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.106 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.66 116.98 33.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.898 ' N ' HD22 ' A' ' 10' ' ' LEU . 9.3 pt -136.15 111.07 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.841 HG21 ' O ' ' A' ' 37' ' ' ALA . 8.4 p -132.73 132.62 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.853 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.1 m-20 -138.21 145.06 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.534 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.5 t0 -57.5 -33.77 68.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.89 143.9 33.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.191 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.549 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 t -69.81 -41.27 79.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.4 -35.81 68.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.36 -58.22 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.549 ' CG ' ' HA ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -61.3 -30.41 70.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 3.3 tt -71.43 -43.33 66.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.72 -57.22 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.873 HD12 HD12 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -56.78 -49.6 74.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.36 -29.68 75.26 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.471 1.107 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 39.1 t70 -75.86 -47.87 23.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 0.809 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HB1' ' SD ' ' A' ' 117' ' ' MET . . . -59.22 -48.42 81.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.47 -25.96 62.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.618 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.6 mm-40 -61.07 -49.42 77.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -13.09 26.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -95.63 -13.5 24.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.211 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.618 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 68.66 34.99 79.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.183 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.35 -103.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 111.042 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.611 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -163.91 -53.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.638 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.09 124.33 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.183 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.3 111.0 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.653 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.68 117.07 24.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 0.0 110.414 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.74 140.97 52.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.841 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.65 131.13 14.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.81 -89.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.76 -172.46 3.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.33 -44.77 3.12 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 16.1 mt-10 -67.25 -55.01 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.83 ' O ' HD13 ' A' ' 46' ' ' ILE . 1.9 tt0 -59.74 -43.27 94.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.728 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.44 -23.67 77.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.434 ' HE3' ' HB2' ' A' ' 48' ' ' ALA . 9.0 tpt -69.0 -48.63 62.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.782 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.571 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -70.62 -39.93 73.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.83 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -67.26 -33.42 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.827 ' SD ' HG22 ' A' ' 55' ' ' VAL . 28.9 ttp -77.62 -46.79 21.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.434 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.69 -43.88 92.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -51.42 -20.09 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.639 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.03 -174.26 0.4 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.03 149.93 37.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.683 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 56.0 p-80 -166.34 156.48 12.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.587 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.679 ' N ' ' O ' ' A' ' 8' ' ' LYS . 40.0 t-80 -146.91 12.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.639 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.08 136.16 12.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.106 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.3 t -133.66 95.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.812 HD11 HD22 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.61 136.77 50.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.488 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -144.35 170.53 15.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.955 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.87 -173.46 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -115.21 16.97 16.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.029 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.534 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -59.25 -82.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.678 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 6.4 mtt -156.76 48.54 0.34 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.678 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -75.0 138.15 22.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.445 1.761 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.495 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 29.6 mmtt -76.34 -19.52 58.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 1.9 tpt -135.79 80.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.6 t70 -75.78 173.46 11.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.671 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -32.95 -58.63 0.47 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.7 mt -57.86 -45.71 85.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.63 0.841 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -56.5 -42.52 90.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.971 HD22 ' CG1' ' A' ' 55' ' ' VAL . 1.5 mt -64.28 -39.88 94.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 0.777 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.063 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.74 -48.94 79.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -57.56 -35.37 70.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB2' ' HE2' ' A' ' 64' ' ' MET . . . -67.6 -45.72 74.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.063 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -56.01 -36.51 44.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -60.65 -19.9 59.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.66 -21.82 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -128.53 112.83 19.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.571 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -74.93 -4.85 16.03 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.14 66.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 1.002 HG23 HG12 ' A' ' 73' ' ' VAL . 15.1 t -101.93 6.51 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.571 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -71.78 -12.84 61.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.86 7.74 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.644 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -99.71 128.28 45.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.93 121.61 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.835 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.49 147.41 23.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.579 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -117.64 135.98 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -134.04 110.86 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.038 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.83 129.51 43.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.599 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -152.42 162.14 41.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 38.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' THR . 3.4 mp0 -125.13 -59.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.15 74.48 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -127.1 123.65 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -55.59 -26.83 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.48 81.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.07 -35.87 81.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.232 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.043 HG13 HG13 ' A' ' 107' ' ' VAL . 60.7 t -61.74 -47.15 94.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.04 -30.48 65.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -62.04 -55.22 31.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.8 -48.24 32.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.66 -27.55 28.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.31 -20.75 17.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.743 HD23 HD21 ' A' ' 70' ' ' LEU . 20.0 tp -66.41 -22.31 66.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.94 -16.21 2.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.764 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -52.19 144.84 11.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 35.2 t30 -76.3 -42.12 46.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.534 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -169.78 126.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.244 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 1.043 HG13 HG13 ' A' ' 96' ' ' VAL . 7.2 p -117.76 113.6 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.352 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.789 HD23 HG23 ' A' ' 124' ' ' VAL . 1.4 mm? -118.67 153.08 34.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.556 ' C ' ' HD3' ' A' ' 111' ' ' PRO . . . -101.64 154.44 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -114.2 74.75 2.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.556 ' HD3' ' C ' ' A' ' 109' ' ' ALA . 18.5 Cg_endo -74.98 156.98 43.1 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 0.0 111.052 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -72.6 -9.13 58.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.56 141.71 28.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.407 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.569 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 5.6 pt -73.03 -27.28 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -48.36 74.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.42 ' HB3' ' HG3' ' A' ' 111' ' ' PRO . 64.9 mttt -75.55 -43.52 48.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.532 ' SD ' ' HB1' ' A' ' 25' ' ' ALA . 23.4 ttm -63.56 -42.53 98.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 16.3 tttm -67.85 -31.92 72.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.11 66.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 108' ' ' LEU . . . -57.03 -53.72 54.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.516 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.9 OUTLIER -61.84 -41.39 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.5 -24.67 61.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.3 -44.61 9.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.789 HG23 HD23 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -60.28 -31.7 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -98.95 -48.22 4.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.7 -48.32 86.63 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -96.53 60.36 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 0.802 . . . . 0.0 109.239 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.55 HD21 ' NE2' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -77.36 127.0 31.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.242 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 mtp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.467 0.175 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.77 -16.53 57.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.577 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.56 105.34 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.58 60.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.784 ' HB3' HG22 ' A' ' 7' ' ' ILE . 13.8 mt-10 -93.39 -43.18 8.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 110.216 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.509 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER 39.23 29.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.829 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.0 tp -115.14 92.35 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.228 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.632 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.97 143.11 49.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.882 HG21 ' HB2' ' A' ' 31' ' ' PHE . 11.6 t -101.78 125.15 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.099 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.2 116.35 31.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.875 ' N ' HD22 ' A' ' 10' ' ' LEU . 5.8 pt -136.3 110.25 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.8 p -131.8 132.48 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.796 ' CG ' HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -139.23 144.16 38.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.548 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 2.4 t70 -54.22 -52.19 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.83 142.91 29.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.224 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.8 t -69.38 -41.59 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -35.01 69.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.482 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 1.1 m -73.46 -57.25 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.92 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.625 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.72 -29.17 70.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.608 1.193 . . . . 0.0 110.33 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -72.37 -44.26 62.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.8 mt -58.63 -56.56 20.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.848 HD13 HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -56.08 -49.61 73.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.4 -29.54 73.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 44.7 t0 -76.86 -48.64 17.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 0.725 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.75 -47.42 85.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD11 ' HE1' ' A' ' 117' ' ' MET . 7.4 mp -71.65 -27.07 62.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.592 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 1.9 mm-40 -59.69 -47.8 84.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -13.45 62.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.835 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -90.84 -11.51 39.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.356 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.585 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 64.06 26.45 70.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.183 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -18.6 -98.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 111.047 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.607 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -161.69 -57.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.421 1.076 . . . . 0.0 109.383 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.641 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -158.25 129.33 6.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.183 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -92.49 111.64 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.62 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -125.66 115.0 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.394 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -126.36 142.9 51.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.849 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.55 130.71 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.1 -89.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.5 -172.42 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.81 -44.36 2.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.494 ' CG ' ' HB2' ' A' ' 63' ' ' LYS . 28.9 mm-40 -67.09 -55.85 12.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.89 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.5 -44.18 96.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.781 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.85 -26.06 74.85 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.5 tpt -68.71 -51.38 42.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.603 0.825 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -67.89 -34.46 76.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.89 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -70.4 -34.58 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.698 ' HG2' ' CG ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -77.74 -46.64 21.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.79 -42.6 99.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -50.8 -20.22 1.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.649 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -138.75 -174.43 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.649 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.99 150.01 37.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.698 ' CG ' ' HG2' ' A' ' 47' ' ' MET . 43.8 p-80 -163.61 158.08 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.629 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.829 ' CB ' HD12 ' A' ' 7' ' ' ILE . 70.1 t60 -147.15 14.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.529 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.711 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -157.51 134.33 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.099 HG13 ' CD1' ' A' ' 10' ' ' LEU . 24.1 t -134.38 94.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.848 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.35 138.82 43.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.523 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -144.57 170.57 15.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.436 ' HB2' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -97.79 -173.48 2.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.26 17.68 15.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.548 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -60.35 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.688 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -156.75 47.79 0.31 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 111.056 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.688 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.96 139.07 23.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.494 ' HB2' ' CG ' ' A' ' 41' ' ' GLU . 4.5 mmtp -76.19 -20.72 57.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.6 ' CE ' ' HB2' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -136.55 83.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 111.012 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.8 t70 -76.94 172.75 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.608 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -33.16 -58.7 0.5 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.9 mt -57.96 -45.87 86.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.55 -42.7 84.86 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.048 HD22 HG11 ' A' ' 55' ' ' VAL . 1.4 mt -64.35 -39.12 93.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.002 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.43 -48.18 82.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -30.12 70.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.6 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -73.22 -45.19 57.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.014 HG13 ' O ' ' A' ' 69' ' ' LEU . 2.2 m -56.02 -36.41 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -60.12 -19.88 55.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.03 -24.4 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.678 ' HB3' HG22 ' A' ' 79' ' ' THR . 12.8 t30 -125.25 113.21 26.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.512 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.08 -5.83 17.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.25 -32.44 61.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.678 HG22 ' HB3' ' A' ' 76' ' ' ASN . 5.9 t -104.91 6.71 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.16 -18.18 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.426 ' N ' ' HE3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -101.18 7.87 42.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.652 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.29 128.23 44.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -90.52 121.5 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.832 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.75 148.8 22.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.613 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -118.37 136.6 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.417 HD13 ' OD1' ' A' ' 65' ' ' ASP . 1.9 tp -133.3 110.95 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.029 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.02 130.38 41.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.598 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -151.58 162.33 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.04 38.82 0.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.473 ' CD ' ' HG1' ' A' ' 88' ' ' THR . 2.4 mp0 -125.08 -59.84 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 46.48 72.15 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.55 121.92 31.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -26.86 37.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.11 83.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -36.13 82.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.9 t -61.46 -47.15 94.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.03 -30.87 65.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -60.96 -55.34 34.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 102' ' ' LEU . . . -74.01 -47.53 36.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.22 -27.43 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -98.0 -20.17 17.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.676 HD13 ' O ' ' A' ' 102' ' ' LEU . 3.4 tm? -66.8 -22.79 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.73 -19.67 1.82 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.731 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -50.61 144.28 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 0.819 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 32.9 t30 -75.3 -43.13 52.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.429 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -167.22 126.04 1.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 t -118.15 113.1 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.921 HD23 HG23 ' A' ' 124' ' ' VAL . 1.4 mm? -118.77 152.52 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.367 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.513 ' C ' ' HD3' ' A' ' 111' ' ' PRO . . . -98.31 153.5 18.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.432 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 9.7 ttpt -114.48 76.29 3.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.513 ' HD3' ' C ' ' A' ' 109' ' ' ALA . 18.2 Cg_endo -75.04 157.45 42.61 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.568 1.825 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -69.71 -20.55 63.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.26 140.74 30.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.568 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.1 pt -72.82 -26.52 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.61 -47.5 78.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.415 ' HB3' ' HG3' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -75.76 -44.69 40.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.544 ' HE1' HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 36.0 tttt -67.25 -35.31 79.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.23 78.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' A' ' 108' ' ' LEU . . . -56.48 -51.0 70.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.592 ' O ' HG12 ' A' ' 124' ' ' VAL . 24.0 pt -60.59 -43.73 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.89 -29.04 59.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.56 -44.93 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.921 HG23 HD23 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -59.86 -31.29 47.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.617 1.198 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -84.16 -63.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.486 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -56.09 -60.83 8.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 34.13 65.24 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -95.1 127.02 40.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtp . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.487 0.184 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -20.26 42.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.617 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.26 104.95 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.19 -34.27 44.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.668 ' HB3' HG22 ' A' ' 7' ' ' ILE . 3.7 mt-10 -92.82 -44.43 8.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.396 1.06 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER 38.47 30.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.791 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.3 tp -118.85 91.63 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.61 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.04 142.28 50.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.843 HG21 ' HB2' ' A' ' 31' ' ' PHE . 4.2 t -101.39 128.45 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.107 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.51 117.14 32.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.897 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.4 pp -136.28 110.47 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.786 HG21 ' O ' ' A' ' 37' ' ' ALA . 9.6 p -133.2 130.42 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.78 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.1 m-20 -140.96 143.42 34.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.473 ' CB ' ' CG ' ' A' ' 60' ' ' ASN . 9.9 t70 -55.35 -48.26 74.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.03 140.43 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.565 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.5 t -70.56 -41.39 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.26 -36.18 70.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.511 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 27.8 m -72.32 -56.9 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.575 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.37 -29.67 70.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 4.2 tt -73.17 -44.18 60.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.09 -57.56 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.831 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -57.09 -50.26 73.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -61.96 -30.61 75.88 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.1 t70 -75.64 -47.81 24.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.747 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.94 -44.99 83.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.432 ' HG ' HD23 ' A' ' 29' ' ' LEU . 6.8 mp -71.87 -26.46 62.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.559 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.37 -49.86 75.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.502 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -65.68 -13.16 58.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.893 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -94.52 -12.89 26.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.587 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 65.4 29.33 74.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.209 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -18.67 -101.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 0.729 . . . . 0.0 111.03 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.652 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -162.1 -56.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.227 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.574 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -159.16 126.85 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.209 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.2 pt -94.28 113.36 28.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.225 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.694 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -124.26 116.05 22.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.53 142.02 51.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.786 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.43 129.74 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.393 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.6 -90.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.31 -172.17 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -40.76 -40.51 2.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 1.8 tt0 -69.41 -57.87 4.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.555 ' O ' HD13 ' A' ' 46' ' ' ILE . 4.3 tt0 -59.92 -43.93 94.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.742 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -69.88 -26.26 74.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.488 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 5.6 tpt -68.14 -52.7 31.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 0.804 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CG ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -68.56 -33.46 74.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -70.06 -34.7 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.642 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -77.87 -46.48 21.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.435 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -63.27 -41.73 99.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.3 mm-40 -52.53 -20.23 2.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.221 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.623 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -137.07 -175.87 0.52 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.03 148.97 35.9 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.642 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 20.4 p-80 -165.78 158.91 15.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 109.643 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.791 ' CB ' HD12 ' A' ' 7' ' ' ILE . 45.6 t-80 -147.06 15.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.588 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.757 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.93 131.89 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.107 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.6 t -133.38 94.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -114.5 137.69 47.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.3 t -144.94 171.02 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.473 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -97.96 -173.21 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.436 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -116.05 17.77 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' CG ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -59.05 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.684 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -159.19 48.01 0.26 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.99 137.87 22.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . 44.9 mmtt -76.25 -19.52 58.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 3.5 tpp -136.05 81.56 1.89 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.7 t70 -77.49 175.33 9.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.884 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -32.51 -60.86 0.37 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.8 mt -57.66 -45.7 85.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.6 -41.49 73.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.926 HD22 HG11 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -64.68 -43.27 94.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.036 HD22 ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.39 -43.78 92.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.687 ' N ' HD13 ' A' ' 70' ' ' LEU . 8.8 mt-30 -59.66 -35.99 75.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.65 72.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.075 HG12 HG23 ' A' ' 79' ' ' THR . 2.0 m -55.64 -36.57 42.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.395 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -20.62 55.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.8 -25.08 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.9 114.86 15.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.509 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -74.99 -5.7 17.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.16 -32.97 69.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 1.075 HG23 HG12 ' A' ' 73' ' ' VAL . 14.2 t -102.74 7.07 39.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -78.21 -6.69 55.66 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 8.34 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.57 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.65 129.1 50.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.591 ' HB3' HG22 ' A' ' 124' ' ' VAL . . . -89.59 121.0 31.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.816 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.0 149.99 21.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.06 . . . . 0.0 111.048 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.588 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -121.52 134.26 65.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.569 HG22 HG23 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -132.04 113.1 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.4 130.67 42.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.594 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -150.76 161.25 43.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.404 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.12 38.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.484 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -124.9 -58.73 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.248 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.83 71.65 0.48 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -125.55 119.47 28.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -25.61 34.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.44 -48.45 81.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.17 -35.63 80.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.855 HG13 HG13 ' A' ' 107' ' ' VAL . 59.1 t -61.17 -47.61 92.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.566 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.1 -30.02 64.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 14.4 ttmt -61.47 -55.79 27.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.67 -48.23 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.72 -27.61 29.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.79 -21.34 17.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -66.69 -22.06 66.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.97 -20.75 1.78 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -49.74 146.04 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 24.8 t30 -81.35 -36.67 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.491 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.2 m-20 -172.41 127.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.855 HG13 HG13 ' A' ' 96' ' ' VAL . 12.8 p -128.32 111.97 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.384 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -131.07 153.21 49.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.633 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -109.9 152.81 25.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HE3' ' CB ' ' A' ' 87' ' ' LEU . 23.8 mtmt -71.44 107.52 2.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.633 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.6 Cg_endo -74.85 158.16 42.93 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.571 1.827 . . . . 0.0 111.069 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.589 ' CD1' ' OG1' ' A' ' 113' ' ' THR . 30.8 p90 -81.83 -18.77 42.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.589 ' OG1' ' CD1' ' A' ' 112' ' ' PHE . 33.3 m -104.96 145.62 30.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.5 pt -69.42 -23.18 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.525 ' H ' HG22 ' A' ' 113' ' ' THR . 0.8 OUTLIER -66.43 -42.77 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.428 ' HB3' ' CB ' ' A' ' 111' ' ' PRO . 0.4 OUTLIER -75.44 -38.95 59.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.63 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 3.6 ttp -72.67 -37.6 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 7.4 ttpt -73.19 -32.73 64.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.36 -46.24 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.11 -49.25 76.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.644 HD13 HD13 ' A' ' 29' ' ' LEU . 2.3 pp -62.44 -46.26 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.413 ' N ' HD12 ' A' ' 121' ' ' ILE . 9.4 mt-10 -56.43 -25.72 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.27 -42.61 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.591 HG22 ' HB3' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.54 -30.95 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -88.17 -51.72 5.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -64.96 -66.09 2.63 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.86 67.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -95.25 127.07 41.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 mtp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.549 0.214 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.27 -13.51 56.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.001 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.512 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.42 110.37 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.236 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.49 -36.52 55.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' HB3' HG22 ' A' ' 7' ' ' ILE . 9.7 mt-10 -91.89 -46.46 7.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' CA ' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.94 27.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.085 . . . . 0.0 109.363 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.806 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.8 tp -122.91 92.05 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.606 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.91 139.36 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.816 HG21 ' HB2' ' A' ' 31' ' ' PHE . 10.9 t -100.79 127.54 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.078 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.59 117.15 33.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.9 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.4 pp -134.87 109.28 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.805 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.1 p -132.72 130.35 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.887 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.2 m-20 -139.35 144.83 38.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.528 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 3.3 t70 -56.04 -47.57 77.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' NE2' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -89.9 143.27 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.8 t -70.05 -42.6 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.417 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -58.51 -35.62 72.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 110.367 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.2 m -71.79 -57.8 4.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.012 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.61 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.09 -29.62 70.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.08 -44.66 65.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 mt -58.37 -56.89 16.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.887 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.79 -49.96 71.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.43 -29.38 73.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' LEU . 55.0 t0 -76.6 -47.89 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.89 ' HB1' ' SD ' ' A' ' 117' ' ' MET . . . -59.44 -48.01 83.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.004 HD13 HD23 ' A' ' 29' ' ' LEU . 1.8 mm? -71.33 -26.25 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.616 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -61.49 -49.13 78.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.336 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -12.91 29.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.004 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -95.28 -12.99 25.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.616 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.38 33.27 81.56 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.191 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.71 -103.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 111.029 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.66 ' HG2' HG23 ' A' ' 7' ' ' ILE . 13.1 tptt -163.51 -54.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.6 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.64 124.49 5.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.191 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.85 111.95 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.673 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.23 116.35 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.746 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.82 140.21 53.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.805 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.44 131.31 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.51 -89.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.21 -171.82 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.13 -43.93 3.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 12.8 mt-10 -67.72 -54.82 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.822 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.87 -44.3 94.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.679 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.63 -24.02 77.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.59 ' HB2' HD21 ' A' ' 69' ' ' LEU . 5.6 tpt -68.42 -49.13 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.776 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.552 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.68 -40.7 72.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.822 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.09 -33.83 66.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.859 ' SD ' HG22 ' A' ' 55' ' ' VAL . 30.0 ttp -77.49 -46.24 23.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.056 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.14 91.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 4.0 mm-40 -50.84 -19.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.638 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.5 -174.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.068 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.638 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -75.04 150.38 37.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.675 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 55.9 p-80 -166.47 155.8 11.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.549 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.806 ' CB ' HD12 ' A' ' 7' ' ' ILE . 50.0 t-80 -146.48 14.14 1.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.473 1.108 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.661 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -156.87 134.41 10.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.078 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.9 t -133.57 95.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.602 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -115.73 135.47 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.18 171.04 14.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.55 -173.56 2.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -115.49 15.46 16.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.528 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -57.15 -80.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.668 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -159.0 49.38 0.31 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.566 1.166 . . . . 0.0 111.049 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -74.93 138.93 23.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 11.8 mmtm -76.12 -19.52 58.44 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.488 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -138.01 83.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' GLY . 44.7 t0 -76.11 173.69 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.213 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.88 -60.91 0.4 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.447 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.6 mt -57.11 -46.42 82.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -52.67 -44.79 60.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.006 HD12 HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -65.97 -38.17 87.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.079 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -59.14 -45.34 91.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.659 ' N ' HD13 ' A' ' 70' ' ' LEU . 36.9 mt-30 -61.34 -35.8 78.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.247 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.12 75.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.079 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -55.79 -36.7 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.222 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -59.51 -21.05 59.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.51 -24.93 14.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -125.97 113.43 24.32 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.585 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.03 -4.03 14.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.62 -36.37 68.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.872 HG23 HG12 ' A' ' 73' ' ' VAL . 10.4 t -102.94 7.32 39.23 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.587 1.179 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.585 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -71.92 -11.77 60.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 8.52 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.595 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.47 127.62 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.81 121.06 31.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.823 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.57 147.26 24.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.62 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -118.31 135.71 57.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 tt -132.54 111.64 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.041 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.51 128.97 41.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.594 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.8 p -150.27 162.15 41.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.82 37.66 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.9 mp0 -125.16 -59.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.94 72.08 0.48 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -124.71 116.19 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -55.6 -24.62 34.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.98 79.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -35.9 80.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.723 HG13 ' HB ' ' A' ' 107' ' ' VAL . 49.0 t -61.51 -47.46 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -71.71 -30.45 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 11.0 ttmt -62.23 -55.66 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.85 -49.18 31.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.781 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -52.83 -27.98 20.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.03 -20.15 18.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.809 HD13 ' O ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -66.47 -21.97 66.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.03 -15.85 1.53 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.781 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -52.65 146.3 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 29.6 t30 -76.23 -40.9 50.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.423 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 4.5 m-20 -170.21 126.53 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.723 ' HB ' HG13 ' A' ' 96' ' ' VAL . 2.6 t -113.52 116.64 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.772 HD21 ' O ' ' A' ' 120' ' ' ALA . 0.7 OUTLIER -120.59 159.6 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.257 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.558 ' C ' ' HD3' ' A' ' 111' ' ' PRO . . . -111.56 153.92 25.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.431 ' CD ' ' O ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -114.1 75.05 2.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.234 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.558 ' HD3' ' C ' ' A' ' 109' ' ' ALA . 18.4 Cg_endo -74.98 157.62 42.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.481 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 17.7 t80 -71.29 -15.33 62.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.75 141.35 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.576 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 5.4 pt -72.83 -27.37 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.77 -47.25 75.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.42 ' CB ' ' CG ' ' A' ' 111' ' ' PRO . 0.8 OUTLIER -74.5 -43.29 56.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.89 ' SD ' ' HB1' ' A' ' 25' ' ' ALA . 13.6 ttm -65.54 -42.1 92.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.645 ' HA ' HD11 ' A' ' 121' ' ' ILE . 22.0 ttpt -66.54 -31.48 72.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.15 -45.91 72.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.772 ' O ' HD21 ' A' ' 108' ' ' LEU . . . -57.59 -57.12 14.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.224 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.645 HD11 ' HA ' ' A' ' 118' ' ' LYS . 0.7 OUTLIER -56.86 -38.85 61.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -62.83 -24.86 67.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.36 -42.91 13.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.739 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -56.44 -37.09 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -98.52 -58.0 2.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.393 1.058 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.42 -48.09 71.97 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -98.72 61.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.805 . . . . 0.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.623 HD21 ' CE1' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -69.44 126.78 30.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.852 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.3 tp -122.52 93.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.34 142.46 49.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.872 HG21 ' HB2' ' A' ' 31' ' ' PHE . 7.8 t -101.88 127.54 55.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.099 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.4 117.26 33.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.912 HD13 ' CD1' ' A' ' 22' ' ' LEU . 1.5 pp -135.1 108.95 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.716 HG21 ' O ' ' A' ' 37' ' ' ALA . 14.4 p -132.39 130.1 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.863 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.4 m-20 -139.41 144.28 38.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.522 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.6 t70 -57.53 -45.57 84.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.96 142.85 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.657 HG13 ' NH1' ' A' ' 19' ' ' ARG . 2.7 t -71.18 -42.42 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.59 -36.96 72.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.441 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 15.8 m -72.34 -56.89 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.657 ' NH1' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -62.45 -29.51 70.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.47 -43.83 65.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.8 mt -59.21 -56.73 18.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.912 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -55.64 -49.24 73.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.33 -29.59 74.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 30.6 t70 -76.47 -48.59 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.7 84.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.075 HD13 HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -70.93 -27.27 63.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.58 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.8 mm-40 -60.73 -47.9 84.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -68.34 -12.98 61.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.075 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -93.32 -12.55 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.585 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 65.26 29.21 74.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.226 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.1 -100.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.024 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.685 ' HG2' HG23 ' A' ' 7' ' ' ILE . 4.3 tptt -162.22 -56.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.79 126.99 5.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.226 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -94.27 112.36 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.674 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.05 115.83 22.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.19 140.82 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.716 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.28 129.69 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 34.14 -89.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.5 -171.23 3.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.7 -43.5 4.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.469 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.6 mt-10 -67.72 -56.1 10.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.516 ' O ' HD13 ' A' ' 46' ' ' ILE . 1.5 tt0 -59.59 -42.47 92.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.683 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.33 -24.17 76.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 7.0 tpt -69.45 -48.62 60.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.494 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.67 -41.67 71.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -65.71 -33.77 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.851 ' SD ' HG22 ' A' ' 55' ' ' VAL . 35.8 ttp -77.35 -46.75 21.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.46 88.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 13.6 mm-40 -49.81 -20.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.632 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -133.51 -175.03 0.44 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.95 149.74 37.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.673 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 56.2 p-80 -167.01 155.62 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.626 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.852 ' CB ' HD12 ' A' ' 7' ' ' ILE . 69.9 t60 -147.2 14.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.671 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.07 134.85 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.099 HG13 ' CD1' ' A' ' 10' ' ' LEU . 26.3 t -134.18 96.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -115.87 134.77 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.62 170.83 15.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.95 -173.76 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -114.31 17.04 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.522 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.8 OUTLIER -57.33 -81.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.662 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -159.96 49.81 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.662 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.01 140.33 25.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.545 1.813 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.469 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 32.4 mmtt -75.7 -19.83 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.486 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -138.96 84.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 68' ' ' GLY . 28.6 t0 -76.03 176.49 7.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -33.91 -60.43 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.2 mt -56.69 -44.91 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.4 -43.02 76.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.986 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -65.16 -42.02 94.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.034 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.85 -45.13 86.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.718 ' N ' HD13 ' A' ' 70' ' ' LEU . 72.3 mt-30 -60.87 -35.59 76.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.2 -45.42 69.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.034 HG22 ' O ' ' A' ' 70' ' ' LEU . 1.8 m -55.58 -36.3 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -59.94 -20.06 55.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.38 -23.74 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.444 ' HB3' HG22 ' A' ' 79' ' ' THR . 6.0 t30 -127.99 113.5 20.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.06 -5.38 16.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.96 -34.22 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.643 HG23 HG12 ' A' ' 73' ' ' VAL . 8.5 t -104.08 7.29 36.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.389 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.543 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -73.4 -10.99 60.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -106.93 7.46 30.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.601 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.09 127.43 43.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.52 121.83 32.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.817 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.44 149.86 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -121.68 136.56 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -134.16 112.01 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.006 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.62 129.01 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.597 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -151.58 162.4 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.423 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.72 38.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.0 OUTLIER -125.1 -59.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.8 73.73 0.25 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -126.67 118.23 24.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -21.88 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.8 -48.72 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -35.63 80.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.575 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 48.0 t -62.05 -47.14 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.15 -30.41 64.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.7 tttm -62.19 -55.27 30.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.26 -48.28 36.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.629 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.89 -27.83 32.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.43 -21.64 18.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.892 ' O ' HD13 ' A' ' 102' ' ' LEU . 2.4 tm? -66.88 -21.78 66.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.05 -19.71 1.76 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.629 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -49.63 145.78 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 30.2 t30 -77.86 -41.69 36.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.532 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.765 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.1 tp -120.61 92.01 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.16 143.23 49.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.98 HG21 ' HB2' ' A' ' 31' ' ' PHE . 16.5 t -102.16 124.99 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.066 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -107.7 117.62 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.968 HD13 ' CD1' ' A' ' 22' ' ' LEU . 1.6 pp -136.49 112.07 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.1 p -132.67 131.07 59.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.83 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.3 m-20 -139.38 143.84 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 2.1 t70 -56.21 -50.91 69.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.65 144.21 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.57 1.169 . . . . 0.0 110.218 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.463 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 3.3 t -70.64 -42.54 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.7 -36.09 69.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.454 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.446 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -72.28 -57.9 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.998 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.638 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.35 -29.06 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.602 1.188 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.4 tt -72.3 -43.22 64.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.49 -56.61 19.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.968 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -55.91 -50.69 70.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.82 -31.0 76.68 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.552 1.158 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 18.0 t70 -74.71 -48.56 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 0.728 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.83 -43.0 80.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.694 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 7.0 mp -72.68 -27.76 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.51 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -56.15 -49.82 72.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.1 mt-30 -66.03 -12.75 57.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.869 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -101.57 -19.97 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 60.87 37.39 93.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.11 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -21.52 -93.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 110.971 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG3' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -158.66 -57.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.359 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.612 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.01 129.27 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.11 HG23 ' CE2' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -93.66 111.1 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.677 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.08 115.27 21.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.96 143.33 50.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.849 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -151.28 130.36 12.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.62 -89.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -147.12 -173.34 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -38.32 -46.26 1.94 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 16.5 mt-10 -66.24 -55.46 16.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.922 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -60.02 -43.8 95.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.796 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -70.02 -26.25 74.56 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -67.1 -50.1 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 0.0 110.989 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -69.82 -32.98 71.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.922 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -71.44 -33.38 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.666 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 1.1 tmm? -79.6 -46.52 17.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.466 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.04 -41.54 98.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 1.5 mm100 -51.83 -20.21 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -139.12 -175.32 0.47 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.0 149.96 37.43 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.666 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 25.4 p-80 -164.68 157.34 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.634 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.765 ' CB ' HD12 ' A' ' 7' ' ' ILE . 29.6 t-80 -147.4 15.27 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.601 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.633 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -157.17 132.18 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.066 HG13 ' CD1' ' A' ' 10' ' ' LEU . 45.1 t -133.18 95.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.967 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -113.83 137.01 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.468 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.2 t -144.6 170.06 16.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.29 -173.34 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -114.91 17.47 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' C ' ' CG ' ' A' ' 61' ' ' MET . 0.4 OUTLIER -59.08 -81.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.666 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -157.85 49.28 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.951 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.666 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -74.97 136.42 20.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 15.1 mmtt -75.83 -19.55 58.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.486 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 1.2 tpt -135.49 81.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.694 ' OD1' HD13 ' A' ' 86' ' ' ILE . 28.3 t0 -77.16 173.97 11.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.27 -60.18 0.6 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.5 mt -56.83 -45.12 82.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 0.78 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.64 -42.24 66.86 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.998 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -63.76 -44.8 92.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 0.807 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.052 ' O ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -56.07 -41.62 75.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.679 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.0 mt-30 -63.49 -35.59 80.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.02 -45.41 63.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.23 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.002 HG12 HG23 ' A' ' 79' ' ' THR . 1.4 m -56.02 -36.58 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -60.38 -17.65 45.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.36 -22.73 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -133.38 114.32 13.47 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.424 1.077 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.573 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.04 -6.3 17.86 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.418 1.746 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.38 -26.76 63.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 1.002 HG23 HG12 ' A' ' 73' ' ' VAL . 14.2 t -111.26 6.9 20.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.573 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.66 -14.15 60.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.5 8.66 39.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.583 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.77 125.99 47.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.731 ' HB1' ' HB3' ' A' ' 106' ' ' ASN . . . -89.61 121.12 31.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.777 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.07 149.12 22.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.631 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -121.35 136.37 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.598 1.186 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.694 HD13 ' OD1' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -134.62 111.43 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.02 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.77 129.96 41.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.566 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -152.13 163.58 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 38.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.247 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' A' ' 88' ' ' THR . 2.5 mp0 -124.88 -60.2 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.51 72.39 0.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -125.41 118.68 26.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -55.25 -22.31 17.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.42 -48.54 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -35.68 78.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.573 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 54.1 t -62.03 -47.14 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.563 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -72.22 -30.21 64.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.0 ttmt -62.2 -54.76 36.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.92 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.27 -27.67 36.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.17 -23.24 17.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 25.0 tp -65.34 -22.59 66.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.78 -19.29 2.0 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -49.26 144.32 5.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 31.3 t30 -77.45 -40.2 44.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.731 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.9 t-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.634 HD12 ' CB ' ' A' ' 53' ' ' HIS . 3.1 tp -124.01 91.59 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.718 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -123.54 139.55 53.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.831 HG21 ' HB2' ' A' ' 31' ' ' PHE . 8.9 t -102.4 128.49 55.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.089 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.27 117.33 33.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.906 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.5 pp -135.23 110.31 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.367 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.795 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.6 p -132.82 129.45 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.887 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.2 m-20 -138.97 143.78 38.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.525 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.4 t70 -53.48 -50.8 64.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.28 143.55 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.7 t -69.99 -41.95 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -35.83 70.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.44 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -72.67 -57.46 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.58 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.67 -29.18 70.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -71.8 -43.77 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.23 -57.03 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.887 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.8 -49.22 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.82 -29.11 73.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' LEU . 63.0 t0 -76.45 -48.04 21.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.797 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.29 81.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.67 -26.49 62.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.623 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.85 -48.85 79.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.6 -13.08 38.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 110.337 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.621 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -95.35 -12.95 25.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.618 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.86 34.12 81.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.186 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.08 -103.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 0.738 . . . . 0.0 110.913 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.528 ' HG3' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -163.37 -54.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.64 124.33 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.168 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.186 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.4 112.19 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.676 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.27 116.45 23.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.28 140.58 52.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.795 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.59 130.38 14.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.05 -89.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.3 -171.1 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.5 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.98 -44.67 4.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.44 1.088 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.7 mt-10 -66.93 -55.1 16.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.835 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.68 -43.76 93.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.702 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.93 -24.19 76.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.609 ' HE3' ' HB2' ' A' ' 48' ' ' ALA . 7.3 tpt -67.85 -50.99 53.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.529 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.69 -39.92 76.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.835 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.64 -32.8 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.834 ' SD ' HG22 ' A' ' 55' ' ' VAL . 29.3 ttp -78.61 -46.64 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.609 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.6 -43.72 92.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 11.6 mm-40 -52.46 -19.72 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.635 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.3 -174.59 0.41 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.635 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.07 149.74 36.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.679 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 56.1 p-80 -166.81 155.48 10.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 109.531 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.718 ' N ' ' O ' ' A' ' 8' ' ' LYS . 82.1 t60 -146.31 12.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.64 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.47 136.21 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.089 HG13 ' CD1' ' A' ' 10' ' ' LEU . 24.3 t -133.57 96.53 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.867 HD11 HD13 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -114.78 135.33 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.229 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.533 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -142.32 171.04 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.95 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 0.3 OUTLIER -100.37 -174.07 2.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -114.41 15.46 17.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.525 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -57.36 -81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 109.25 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.663 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 2.6 ptm -159.46 49.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.663 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -75.0 139.9 24.81 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.548 1.815 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 10.0 mmtm -75.59 -19.54 59.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.5 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -139.71 85.39 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' GLY . 25.0 t0 -76.39 174.74 9.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.76 -60.48 0.4 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 67' ' ' LEU . 1.5 mt -56.29 -45.73 80.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.77 -42.9 69.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.014 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -65.43 -40.03 92.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.253 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.038 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.11 -45.44 87.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.673 ' N ' HD13 ' A' ' 70' ' ' LEU . 20.7 mt-30 -61.34 -35.81 78.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.58 -45.06 73.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.038 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.1 m -56.03 -36.55 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -59.66 -19.99 53.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.13 -25.44 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.645 ' HB3' HG22 ' A' ' 79' ' ' THR . 10.8 t30 -125.64 114.11 25.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.237 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.504 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -75.02 -6.09 17.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.443 1.759 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.39 -33.05 62.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.645 HG22 ' HB3' ' A' ' 76' ' ' ASN . 5.1 t -104.25 6.73 35.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.063 . . . . 0.0 110.389 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.504 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.45 -16.4 61.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' N ' ' HE2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -102.39 8.49 40.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.598 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.17 126.62 42.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.58 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.22 122.68 32.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.82 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.37 148.05 24.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.618 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -117.75 136.42 54.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 tt -132.2 111.59 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.01 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.86 129.09 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.589 ' N ' HD22 ' A' ' 87' ' ' LEU . 2.6 t -151.75 162.61 40.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.84 38.24 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.42 -59.1 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.172 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.0 70.15 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.462 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -124.26 116.96 23.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -56.14 -24.38 40.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.61 81.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 92' ' ' ASP . 1.7 mp -67.96 -35.87 79.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.568 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 55.0 t -61.85 -47.28 93.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.564 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 7.6 tt0 -72.1 -29.96 64.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.6 tptt -61.05 -55.83 28.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.07 -48.52 29.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.742 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.16 -27.96 23.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.71 -21.29 17.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.244 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.7 tp -65.6 -22.43 66.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.86 -21.53 1.14 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.51 152.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 32.5 t30 -82.09 -50.52 8.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 2.0 m120 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.689 HG23 ' HG2' ' A' ' 32' ' ' LYS . 2.7 tp -125.45 93.18 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.684 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -124.29 142.21 51.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.82 HG21 ' HB2' ' A' ' 31' ' ' PHE . 10.2 t -104.54 128.56 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.13 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.86 117.41 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.907 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.6 pp -134.87 111.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.808 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.2 p -133.05 127.36 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.622 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.0 m-20 -139.46 142.78 37.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.555 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.3 t0 -56.02 -47.8 77.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -86.92 139.9 30.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 20' ' ' LEU . 3.0 t -69.92 -41.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.433 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -57.16 -36.01 70.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.362 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.514 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.17 -56.97 4.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.695 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.64 -28.45 69.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.345 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -73.33 -45.61 54.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 17' ' ' THR . 15.9 mt -59.8 -56.06 26.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.849 HD11 HD13 ' A' ' 11' ' ' ILE . 2.3 pp -56.38 -48.79 76.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.57 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -63.62 -29.62 75.2 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' LEU . 26.2 t0 -76.08 -48.02 22.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.09 82.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.398 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.31 -26.43 62.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.606 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -61.02 -49.02 79.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -13.24 56.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -93.91 -13.26 27.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.43 31.42 76.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.2 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -18.97 -102.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 111.017 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.689 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -162.92 -55.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.619 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -159.09 125.33 4.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.2 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.66 112.11 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.725 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -123.35 116.17 22.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.45 140.59 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 109.222 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.808 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.12 130.68 14.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.78 -90.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.565 1.165 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -146.08 -171.93 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.46 -44.97 3.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.3 mt-10 -66.38 -55.45 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.887 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -60.42 -45.11 94.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.248 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.728 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.9 -25.89 75.0 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.486 1.116 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.5 tpt -68.17 -50.71 52.66 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.467 0.745 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.527 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.89 -30.9 67.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -72.52 -35.51 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.657 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -77.93 -46.11 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.78 -42.79 99.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 6.4 mm-40 -53.96 -19.2 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.631 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.22 -174.86 0.43 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.631 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 152.57 40.96 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.768 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.657 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 17.1 p-80 -171.91 158.79 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.684 ' N ' ' O ' ' A' ' 8' ' ' LYS . 74.5 t60 -147.45 14.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.533 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.551 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.13 133.23 10.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.13 HG13 ' CD1' ' A' ' 10' ' ' LEU . 27.4 t -132.42 94.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.778 HG12 HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -117.18 138.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.39 171.25 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.499 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -93.69 -172.9 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -117.71 17.03 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.555 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -57.48 -80.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.689 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 mtt -156.63 48.14 0.33 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.07 137.73 21.93 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 8.0 mmtt -76.68 -19.74 57.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.484 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -135.0 81.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLY . 24.9 t0 -76.0 173.1 11.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.506 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -33.5 -57.71 0.57 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 67' ' ' LEU . 1.8 mt -58.44 -45.78 87.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.24 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.3 -44.53 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.069 HD22 HG11 ' A' ' 55' ' ' VAL . 1.5 mt -62.94 -39.09 93.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.066 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -60.32 -48.84 80.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.79 -35.67 68.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.0 -46.11 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.066 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -56.15 -36.08 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.16 -19.62 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.259 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.16 -22.03 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -130.67 112.9 16.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.498 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -74.96 -5.8 17.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.786 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.89 -33.62 66.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 1.006 HG23 HG12 ' A' ' 73' ' ' VAL . 13.2 t -102.74 6.84 39.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -76.08 -7.45 54.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 8.53 29.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.631 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.62 128.7 50.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.68 121.01 31.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.826 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.34 149.87 21.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -122.57 134.93 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.456 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -131.22 113.13 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.352 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.007 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -93.7 130.75 39.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.627 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.2 t -151.25 161.92 41.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.8 38.27 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.0 OUTLIER -126.14 -59.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.96 72.22 0.41 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.437 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -127.07 122.08 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 94' ' ' ALA . 8.3 ptt180 -55.11 -26.54 38.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 93' ' ' ARG . . . -60.41 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -35.94 81.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.579 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 61.4 t -61.29 -47.87 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -71.71 -29.95 65.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -61.53 -55.93 25.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.83 -47.92 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.7 -27.51 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.24 -21.07 17.48 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.431 1.082 . . . . 0.0 109.246 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 36.3 tp -66.39 -22.56 66.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.0 -19.15 1.59 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.9 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -54.23 146.21 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.407 0.71 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 18.2 t30 -80.66 -37.14 31.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.499 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.1 m-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.806 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.0 tp -117.98 91.23 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.598 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.03 142.58 49.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' ' 31' ' ' PHE . 3.3 t -101.26 127.31 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.102 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.07 117.83 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.908 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.5 pp -136.61 111.06 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.857 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.5 p -132.59 130.84 59.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.824 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.8 m-20 -140.05 144.29 36.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CB ' ' CG ' ' A' ' 60' ' ' ASN . 3.8 t70 -58.56 -32.53 68.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -103.06 140.37 37.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.572 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.6 t -71.09 -41.32 76.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.41 -37.02 72.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.462 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.508 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.2 m -71.79 -57.26 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.944 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.04 -30.57 71.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 3.7 tt -71.04 -44.19 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.61 -57.06 12.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.971 HD13 HD11 ' A' ' 56' ' ' ILE . 1.9 pp -57.0 -47.36 81.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -66.05 -30.31 76.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 7.8 t0 -73.49 -48.41 33.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.59 -44.78 81.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -72.01 -25.97 62.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.579 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -61.2 -49.8 75.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.501 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -64.03 -12.39 37.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.825 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -96.43 -14.03 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.588 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 67.17 31.27 77.1 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.21 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.73 -101.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.771 . . . . 0.0 110.962 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -162.4 -56.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.584 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -158.91 126.99 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.21 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -95.76 112.47 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.676 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -122.65 117.04 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.87 140.9 52.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.857 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.99 130.54 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.06 -90.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -145.91 -171.97 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -40.77 -43.82 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.492 ' CG ' ' HB2' ' A' ' 63' ' ' LYS . 4.9 mm-40 -67.15 -55.46 14.08 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.505 0.768 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.579 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -60.34 -45.11 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.721 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -69.92 -25.12 75.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.429 1.081 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.477 ' SD ' HD11 ' A' ' 69' ' ' LEU . 5.1 tpt -68.41 -49.73 57.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.521 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 2.0 ptmt -70.87 -32.56 69.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.579 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.2 mp -72.49 -33.18 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -79.38 -46.97 16.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.28 99.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 4.8 mm-40 -51.53 -19.95 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -138.16 -175.36 0.47 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.01 149.53 36.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.654 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 23.3 p-80 -165.21 157.14 15.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.592 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.806 ' CB ' HD12 ' A' ' 7' ' ' ILE . 41.6 t-80 -146.9 15.36 1.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.508 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.775 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.55 133.16 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.102 HG13 ' CD1' ' A' ' 10' ' ' LEU . 22.7 t -134.13 94.18 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.971 HD11 HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -113.74 136.67 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.534 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -144.15 171.37 14.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.466 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -98.16 -173.52 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -114.03 17.44 17.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 111.051 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.545 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -58.5 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.672 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -160.03 48.76 0.27 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.672 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.03 137.14 21.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.492 ' HB2' ' CG ' ' A' ' 41' ' ' GLU . 27.1 mmtt -76.18 -19.66 58.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.439 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -136.96 80.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' GLY . 43.6 t0 -77.62 177.62 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.53 -63.01 0.29 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.3 mt -57.68 -45.34 85.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 0.719 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -49.66 -46.83 38.43 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.593 1.183 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.018 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -64.34 -40.21 95.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.06 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.31 -45.36 84.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.715 ' N ' HD13 ' A' ' 70' ' ' LEU . 8.8 mt-30 -61.82 -35.91 79.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.67 -45.02 72.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.08 HG12 HG23 ' A' ' 79' ' ' THR . 2.0 m -55.56 -36.96 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.569 ' NH2' HD22 ' A' ' 102' ' ' LEU . 7.5 mtm180 -59.42 -19.16 45.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.67 -23.51 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -131.74 113.75 15.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.0 -4.32 15.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.42 1.748 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.5 -30.76 64.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 1.08 HG23 HG12 ' A' ' 73' ' ' VAL . 15.0 t -106.17 7.15 31.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.529 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.51 -16.49 60.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' N ' ' HE2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -100.64 8.64 43.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.504 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.65 126.32 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.643 ' HB1' ' HB3' ' A' ' 106' ' ' ASN . . . -89.66 121.24 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.787 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.51 150.09 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 111.048 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.638 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -122.04 136.27 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.3 tt -133.46 113.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.0 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.3 129.3 42.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.589 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.2 t -151.28 161.8 42.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.79 38.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.173 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -124.51 -59.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.09 71.81 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.454 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -122.61 111.14 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -55.41 -24.48 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.89 -48.64 79.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -35.13 78.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.582 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.3 t -61.42 -47.71 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -71.88 -30.97 65.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 3.6 ttmm -63.26 -54.91 29.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.53 -49.16 34.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.882 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.17 -28.89 28.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -92.06 -24.13 19.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.569 HD22 ' NH2' ' A' ' 74' ' ' ARG . 1.4 tt -66.35 -20.97 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.9 -25.1 0.92 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.882 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.73 140.95 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -79.67 -37.07 36.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.643 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.5 t-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.755 HG23 ' HG2' ' A' ' 32' ' ' LYS . 3.4 tp -124.95 92.73 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.674 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.64 141.09 52.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.825 HG21 ' HB2' ' A' ' 31' ' ' PHE . 4.7 t -103.41 128.89 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.088 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.23 117.38 33.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.905 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.2 pp -135.15 110.41 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 37' ' ' ALA . 13.8 p -133.56 130.62 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.854 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.9 m-20 -138.99 143.97 38.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.535 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.3 t70 -56.46 -34.51 66.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.16 141.65 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.56 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.8 t -70.02 -41.25 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.401 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -56.73 -36.35 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.482 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.11 -57.58 4.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.956 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.56 ' CG ' ' HA ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -61.96 -30.23 70.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 3.6 tt -71.55 -43.71 65.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 17' ' ' THR . 19.4 mt -63.32 -56.82 13.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.854 HD21 ' CG ' ' A' ' 13' ' ' ASP . 1.7 pp -58.24 -49.08 78.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -63.84 -30.54 78.01 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 6.9 t70 -74.41 -46.92 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.77 81.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.21 -25.47 61.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.581 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -60.63 -50.29 74.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -61.76 -13.0 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -96.39 -14.56 22.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.98 34.31 81.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.185 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.04 -103.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 111.019 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.755 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -162.92 -54.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.574 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.07 124.69 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.185 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.97 112.57 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.7 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -122.36 117.38 25.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 110.387 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.06 139.67 53.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.769 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.61 130.03 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.69 -89.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.555 1.159 . . . . 0.0 111.051 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.02 -171.87 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.18 -43.77 3.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 13.7 mt-10 -67.87 -55.6 12.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 0.792 . . . . 0.0 110.248 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.813 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -59.65 -42.76 93.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.708 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.23 -24.27 76.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.584 ' CE ' ' HB1' ' A' ' 72' ' ' ALA . 6.7 tpt -68.71 -49.97 54.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.81 -40.66 75.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.75 -33.15 61.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.862 ' SD ' HG22 ' A' ' 55' ' ' VAL . 33.2 ttp -77.94 -46.49 21.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.73 91.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.7 mm-40 -50.71 -19.97 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.646 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.05 -173.93 0.38 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.646 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.12 150.39 37.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.685 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 56.1 p-80 -168.64 155.01 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.682 ' CB ' HD12 ' A' ' 7' ' ' ILE . 65.0 t60 -146.41 12.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.589 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.608 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -154.62 134.41 12.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.088 HG13 ' CD1' ' A' ' 10' ' ' LEU . 23.2 t -132.38 96.18 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.795 HD11 HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -116.08 136.09 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -143.86 170.88 15.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -96.99 -173.16 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -115.68 17.36 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.535 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -59.23 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.683 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 6.5 mtt -156.67 48.1 0.32 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.683 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.96 138.01 22.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.481 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 27.9 mmtt -75.95 -21.16 57.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.478 ' HE2' ' HB2' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -134.57 80.8 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.581 1.176 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 68' ' ' GLY . 29.4 t0 -77.32 176.2 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.961 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -31.72 -61.91 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.3 mt -57.12 -45.04 83.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -56.52 -41.69 89.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.961 HD12 ' HA2' ' A' ' 66' ' ' GLY . 1.2 mt -63.1 -41.26 99.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.082 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -59.17 -44.88 92.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.719 ' N ' HD13 ' A' ' 70' ' ' LEU . 80.4 mt-30 -59.47 -34.18 72.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.584 ' HB1' ' CE ' ' A' ' 44' ' ' MET . . . -68.42 -45.38 72.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.082 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.5 m -55.85 -36.57 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -20.67 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.28 -21.5 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -130.16 110.92 16.81 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.664 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.02 -5.0 16.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.29 -30.81 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.964 HG23 HG12 ' A' ' 73' ' ' VAL . 13.9 t -104.39 8.32 35.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.664 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -63.26 -22.8 67.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.02 8.2 41.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -92.19 122.43 34.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -90.21 121.63 32.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.817 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.95 150.6 21.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.564 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -122.41 134.79 64.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.368 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -131.16 113.59 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.026 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.07 129.32 42.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.608 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -151.51 161.4 42.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.434 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.7 38.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.18 -58.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.17 71.33 0.5 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.562 1.164 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -125.86 119.18 27.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.42 -24.97 33.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.56 81.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.57 -35.29 78.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.576 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.2 t -61.36 -47.73 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.3 -30.77 65.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -59.96 -55.71 30.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.35 -48.47 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.27 -28.05 25.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.571 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.96 -22.57 17.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.855 ' O ' HD13 ' A' ' 102' ' ' LEU . 3.4 tm? -66.18 -21.18 66.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 148.25 -25.01 1.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.581 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -48.72 152.85 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 20.3 t30 -86.99 -39.78 15.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.734 HD12 ' CB ' ' A' ' 53' ' ' HIS . 3.6 tp -125.69 93.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.71 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -123.63 142.08 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.843 HG21 ' HB2' ' A' ' 31' ' ' PHE . 6.1 t -104.13 127.75 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.208 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.103 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.07 117.12 32.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.897 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.3 pp -135.62 110.29 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.855 HG21 ' O ' ' A' ' 37' ' ' ALA . 9.2 p -132.07 130.5 61.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.912 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.4 m-20 -139.27 143.71 38.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.553 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 6.2 t0 -54.16 -48.36 70.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -89.55 143.95 26.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' LEU . 2.9 t -70.62 -42.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -35.91 72.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.479 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 1.4 m -71.14 -57.36 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.094 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.91 -28.84 70.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.99 -44.17 63.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.22 -57.25 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.912 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.8 OUTLIER -56.84 -49.44 75.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -63.13 -30.43 77.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' LEU . 9.3 t70 -74.97 -47.46 29.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.22 83.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.028 HD13 HD23 ' A' ' 29' ' ' LEU . 2.3 mm? -71.47 -26.39 62.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.572 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -60.72 -50.2 74.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 110.228 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.505 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -62.13 -12.72 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.352 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.028 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -96.88 -14.43 21.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.622 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.54 34.35 83.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.175 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.24 -103.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.729 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -163.35 -53.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.583 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.6 124.41 4.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.175 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.32 112.77 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.705 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.55 116.77 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.37 140.62 52.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.377 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.855 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.28 130.91 14.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.08 -90.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -145.93 -171.89 3.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.59 -44.38 3.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 11.6 mt-10 -66.94 -55.66 13.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.894 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -60.29 -44.89 94.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.771 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.96 -26.07 74.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.496 ' SD ' ' CB ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -68.49 -52.39 32.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.773 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -67.99 -32.88 73.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.894 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -71.88 -34.42 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.645 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -78.06 -46.65 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.412 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -63.13 -42.16 99.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 24.9 mm-40 -54.37 -19.41 5.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.06 -174.69 0.42 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.07 152.44 40.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.645 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 15.7 p-80 -171.92 158.15 4.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 109.552 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.734 ' CB ' HD12 ' A' ' 7' ' ' ILE . 39.4 t-80 -146.76 13.99 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.612 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.604 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -155.98 133.94 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.103 HG13 ' CD1' ' A' ' 10' ' ' LEU . 22.5 t -132.39 94.64 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.675 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -114.23 138.08 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 4.5 t -144.29 170.99 14.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -97.15 -172.38 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -117.76 17.15 14.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.553 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -59.96 -80.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.689 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 5.6 mtt -156.44 47.98 0.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -74.99 136.83 20.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.48 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 15.8 mmtt -76.31 -20.11 57.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.376 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -134.31 81.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLY . 24.2 t0 -76.49 173.14 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.586 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -33.04 -58.49 0.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.2 mt -58.04 -45.29 87.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.97 -43.5 87.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.016 HD22 HG11 ' A' ' 55' ' ' VAL . 1.5 mt -64.5 -39.34 93.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.063 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -60.47 -48.84 80.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -57.23 -35.97 70.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.496 ' CB ' ' SD ' ' A' ' 44' ' ' MET . . . -67.16 -46.09 75.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.063 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -56.06 -36.4 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.226 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.423 ' CZ ' ' O ' ' A' ' 102' ' ' LEU . 7.8 mtt180 -60.71 -20.77 61.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.25 -21.94 14.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -129.6 112.74 17.81 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.514 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -74.99 -5.49 16.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.549 1.815 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.32 -34.75 65.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 1.009 HG23 HG12 ' A' ' 73' ' ' VAL . 13.3 t -101.48 6.12 42.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.347 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.49 -8.81 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.85 7.8 30.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.62 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.49 127.79 49.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.41 120.69 30.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.811 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.17 148.59 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.675 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -120.72 136.09 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -133.82 111.66 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.019 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.56 129.94 42.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.574 ' N ' HD22 ' A' ' 87' ' ' LEU . 3.8 t -151.88 161.82 42.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 110.464 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.4 39.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -126.04 -60.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.86 74.65 0.2 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -126.72 120.9 30.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.347 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -26.13 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.96 83.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.77 -35.75 79.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 58.8 t -61.12 -47.54 93.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 2.8 tt0 -72.03 -30.75 65.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.249 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -62.07 -55.08 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.39 -48.46 33.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.275 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.8 -27.82 31.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.3 -21.39 17.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.903 ' O ' HD13 ' A' ' 102' ' ' LEU . 3.2 tm? -66.82 -22.22 66.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.56 -17.57 2.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.9 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -53.89 144.45 18.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 14.8 t30 -81.18 -35.87 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.525 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.4 m-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.534 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.798 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.6 tp -109.64 90.41 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.97 143.9 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.857 HG21 ' HB2' ' A' ' 31' ' ' PHE . 11.4 t -102.52 125.43 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.091 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.09 116.06 31.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.864 ' N ' HD22 ' A' ' 10' ' ' LEU . 5.4 pt -136.08 110.32 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.832 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.3 p -131.34 132.5 62.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.865 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.7 m-20 -139.41 143.7 37.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.518 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -55.13 -50.7 68.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -85.69 142.94 28.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.55 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 t -69.65 -40.97 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.407 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -56.62 -34.78 67.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.399 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.498 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -73.42 -57.82 3.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.645 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.42 -30.69 70.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -71.33 -44.16 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 17' ' ' THR . 17.9 mt -59.95 -57.4 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.865 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.75 -49.79 72.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.55 -29.92 75.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' LEU . 29.8 t0 -76.72 -48.63 18.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.1 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.054 HD13 HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -71.32 -27.29 63.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.564 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 1.7 mm-40 -60.25 -47.77 84.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.275 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -13.1 62.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.054 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -92.68 -11.87 32.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.589 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 64.21 27.56 71.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.013 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.199 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -18.67 -99.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -161.04 -56.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.625 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.54 128.44 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.199 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -92.17 111.32 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.628 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -125.16 114.58 19.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -126.28 142.54 51.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.832 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.5 130.72 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.97 -89.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -146.26 -172.11 3.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.5 -44.58 3.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.489 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 12.0 mt-10 -67.64 -55.49 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.853 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.41 -42.74 92.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.762 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.98 -24.41 76.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.483 ' HG2' ' CE ' ' A' ' 64' ' ' MET . 2.9 tpt -68.69 -47.78 65.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -70.61 -38.84 74.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.853 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -67.53 -34.07 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.687 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -78.96 -45.21 20.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 0.0 110.959 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.14 95.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 2.7 mm100 -52.76 -19.79 2.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.25 -175.24 0.46 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.98 150.86 38.9 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.687 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 45.6 p-80 -165.49 156.61 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.626 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.798 ' CB ' HD12 ' A' ' 7' ' ' ILE . 44.0 t-80 -146.95 13.62 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.659 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -157.05 133.96 10.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.091 HG13 ' CD1' ' A' ' 10' ' ' LEU . 40.0 t -133.99 95.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.815 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.65 136.4 51.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -143.62 170.89 14.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.03 -173.8 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -114.17 17.79 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.518 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -59.17 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.681 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 2.2 mtm -157.47 48.77 0.33 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.06 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.681 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.01 138.88 23.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.431 1.753 . . . . 0.0 110.962 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.489 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 42.4 mmtt -77.02 -20.25 56.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.231 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.535 ' CE ' ' HB2' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -137.65 85.84 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 111.055 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.626 ' OD1' HD13 ' A' ' 86' ' ' ILE . 28.8 t0 -78.39 175.57 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.83 -59.77 0.69 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.5 mt -56.55 -44.33 80.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.21 -42.72 63.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.983 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -64.49 -41.93 96.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 109.268 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.057 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.25 -45.43 83.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.738 ' N ' HD13 ' A' ' 70' ' ' LEU . 4.5 mt-30 -61.33 -35.64 77.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.37 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.535 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -68.92 -44.56 72.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.081 HG12 HG23 ' A' ' 79' ' ' THR . 2.0 m -55.75 -36.66 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -60.16 -19.16 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.339 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.8 -20.79 13.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.624 1.203 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -133.06 112.87 13.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.372 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.586 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -4.93 16.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.557 1.82 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.88 66.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 1.081 HG23 HG12 ' A' ' 73' ' ' VAL . 13.4 t -106.16 7.66 31.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.586 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.9 -12.52 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 7.77 29.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.557 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.81 125.5 44.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.558 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.78 121.03 31.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.8 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.44 149.6 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.619 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -121.25 136.22 58.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.626 HD13 ' OD1' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -133.46 112.67 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.344 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.019 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.82 130.02 41.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.643 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -150.9 161.27 43.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.391 1.057 . . . . 0.0 110.405 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.62 38.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.16 -59.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 46.46 74.86 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -126.77 118.21 24.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -26.3 39.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.31 82.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -36.14 82.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.354 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 53.0 t -61.43 -47.26 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.0 OUTLIER -71.9 -31.53 66.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -61.08 -54.96 38.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.71 -48.08 34.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.613 1.195 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.27 -28.2 40.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.64 -21.63 18.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 12.5 tp -66.96 -22.17 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.13 -21.59 1.75 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.44 143.18 5.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 31.9 t30 -76.52 -38.81 54.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.474 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.0 m-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.847 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.6 tp -118.25 91.33 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.71 141.86 50.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.789 HG21 ' HB2' ' A' ' 31' ' ' PHE . 9.9 t -101.42 125.94 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.11 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.76 116.67 32.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.885 ' N ' HD22 ' A' ' 10' ' ' LEU . 9.7 pt -136.6 110.15 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 37' ' ' ALA . 12.5 p -132.55 130.1 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.813 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -138.62 141.4 39.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.553 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 6.6 t0 -50.85 -50.84 55.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.66 143.32 27.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' LEU . 2.6 t -70.06 -42.95 79.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -57.16 -34.97 68.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.495 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.2 m -72.18 -57.2 4.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.555 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.99 -28.69 69.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -73.11 -43.44 61.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 17' ' ' THR . 17.1 mt -61.13 -57.29 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.982 HD13 HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -56.17 -49.51 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.49 ' HA2' ' CD1' ' A' ' 11' ' ' ILE . . . -63.51 -30.34 77.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.118 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 63.5 t0 -74.8 -48.04 27.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.8 81.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.77 -25.87 62.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.562 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.27 -50.46 73.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.511 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -62.11 -12.57 20.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.603 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -97.99 -14.62 20.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.61 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.64 34.7 84.41 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.221 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.97 -103.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.532 ' HG2' HG23 ' A' ' 7' ' ' ILE . 15.9 tptt -162.29 -55.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.593 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.1 125.37 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.221 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.2 pt -94.96 111.83 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.639 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -122.87 116.27 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.58 140.78 52.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.769 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.87 129.53 13.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 35.09 -88.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.93 -171.67 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -42.28 -39.44 3.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.418 1.074 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 2.0 tt0 -69.5 -58.02 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.872 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.57 -43.04 93.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.645 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.59 -25.3 75.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 7.2 tpt -68.64 -48.36 64.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -71.62 -39.46 70.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.872 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -64.93 -34.45 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.688 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -79.14 -45.06 20.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 111.0 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.426 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.92 -41.62 95.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 6.2 mm-40 -54.48 -19.4 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.632 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.69 -175.2 0.46 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.06 149.18 36.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.688 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 46.9 p-80 -164.99 158.33 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.621 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.847 ' CB ' HD12 ' A' ' 7' ' ' ILE . 58.3 t-80 -146.19 14.24 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.564 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.695 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -157.85 133.76 9.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.11 HG13 ' CD1' ' A' ' 10' ' ' LEU . 23.0 t -133.74 94.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.982 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.1 138.75 42.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -144.6 169.89 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.474 ' HB2' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -96.97 -172.47 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -117.71 17.11 14.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.553 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -60.6 -80.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.696 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 3.1 mtp -156.47 47.28 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.696 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -75.11 137.06 20.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . 3.6 mmtp -76.95 -19.88 56.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.438 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -134.24 80.12 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 68' ' ' GLY . 26.3 t0 -76.85 173.96 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.475 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -32.24 -60.03 0.37 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 67' ' ' LEU . 1.4 mt -58.12 -46.69 85.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -52.96 -45.88 61.42 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.976 HD22 ' CG1' ' A' ' 55' ' ' VAL . 1.3 mt -63.24 -39.03 93.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.083 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -61.19 -48.76 80.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.373 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -56.6 -35.2 67.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.63 74.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.083 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.3 m -56.39 -36.4 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.599 ' NH2' HD21 ' A' ' 102' ' ' LEU . 10.4 mtm180 -61.0 -17.31 51.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.7 -21.87 13.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.481 ' ND2' ' HB3' ' A' ' 78' ' ' ALA . 8.8 t30 -133.24 113.47 13.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.575 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.6 Cg_endo -74.97 -5.74 17.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.481 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . . . -69.61 -26.6 64.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 1.03 HG23 HG12 ' A' ' 73' ' ' VAL . 10.5 t -111.08 6.14 20.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.475 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.575 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.96 -12.33 60.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 7.76 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.606 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.38 127.74 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.62 121.73 32.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.8 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.31 149.17 22.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -120.53 135.96 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -133.58 111.55 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.006 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.09 130.81 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.584 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -151.01 161.62 42.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.08 38.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.484 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.06 -58.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.377 1.048 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.9 71.4 0.57 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 96' ' ' VAL . 1.2 m-20 -125.73 114.24 18.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -25.16 35.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.71 80.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -35.83 78.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.583 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 60.3 t -61.08 -47.7 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -72.02 -31.28 66.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.36 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 5.6 ttmm -61.11 -55.28 34.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.55 -49.02 28.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.843 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.13 -28.02 23.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.0 -21.42 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.599 HD21 ' NH2' ' A' ' 74' ' ' ARG . 10.5 tt -67.21 -22.21 65.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.84 -21.69 0.7 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.881 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -54.7 143.36 25.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 80' ' ' LYS . 22.7 t30 -80.53 -36.11 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.535 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.646 HG23 ' HG2' ' A' ' 32' ' ' LYS . 2.6 tp -123.37 91.36 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.67 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -125.02 138.11 54.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.803 HG21 ' HB2' ' A' ' 31' ' ' PHE . 8.3 t -102.09 127.7 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.111 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.34 117.03 32.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.199 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.892 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.5 pp -134.7 109.65 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.781 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.4 p -133.26 129.21 56.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.821 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.6 m-20 -139.18 143.41 38.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.47 ' HB2' ' CB ' ' A' ' 60' ' ' ASN . 3.2 t70 -53.98 -50.32 66.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.12 142.55 28.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 3.3 t -70.32 -43.05 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.413 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -57.07 -36.24 70.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 110.353 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.469 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.3 m -72.39 -57.21 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.605 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.76 -29.21 70.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -72.54 -44.3 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 17' ' ' THR . 14.3 mt -58.55 -57.01 14.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.955 HD13 HD11 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -55.36 -49.94 70.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.06 -29.34 74.07 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 15.0 t70 -77.03 -47.85 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.28 82.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.382 1.051 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.983 HD13 HD23 ' A' ' 29' ' ' LEU . 2.3 mm? -71.22 -26.89 63.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.591 1.182 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.61 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.2 mm-40 -61.17 -48.86 79.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.54 -12.65 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.983 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -95.67 -13.41 24.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.623 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 68.31 33.72 78.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.177 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.73 -103.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.991 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.646 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -163.85 -53.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.6 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.55 124.41 5.03 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.177 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.3 112.44 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.687 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.98 116.31 22.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.36 140.64 52.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.781 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.9 129.81 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.63 -88.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -148.9 -172.74 4.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 0.801 . . . . 0.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.6 -43.49 2.24 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 4.1 mt-10 -65.67 -56.93 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.725 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.8 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -61.0 -43.87 98.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.226 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.583 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.48 -25.9 74.61 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -48.93 55.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 0.81 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -70.43 -41.73 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -66.8 -32.29 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.837 ' SD ' HG22 ' A' ' 55' ' ' VAL . 32.3 ttp -79.37 -46.45 17.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.2 93.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.3 mm100 -52.13 -19.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.637 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.48 -174.56 0.41 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.637 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.09 149.6 36.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.692 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 49.7 p-80 -166.18 155.76 11.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.67 ' N ' ' O ' ' A' ' 8' ' ' LYS . 9.1 t60 -147.45 12.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.537 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.62 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.31 135.82 12.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.111 HG13 ' CD1' ' A' ' 10' ' ' LEU . 26.2 t -133.68 97.14 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.955 HD11 HD13 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -115.46 133.46 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.472 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.0 t -142.71 170.16 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.428 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -97.23 -174.3 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -113.2 17.59 18.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -58.55 -81.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.676 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 16.9 ptm -159.24 48.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.676 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.02 137.58 21.85 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.434 1.755 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 37.9 mmtt -76.81 -19.71 57.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.483 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.9 OUTLIER -135.49 83.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.0 t70 -78.37 172.9 12.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.502 ' HA3' HG23 ' A' ' 86' ' ' ILE . . . -35.54 -57.9 0.92 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.5 mt -57.25 -43.83 83.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 0.741 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.73 -40.82 72.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.032 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -64.93 -42.14 94.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.02 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -56.81 -44.59 82.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.738 ' N ' HD13 ' A' ' 70' ' ' LEU . 9.8 mt-30 -62.82 -35.58 80.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.22 -44.94 71.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.086 HG12 HG23 ' A' ' 79' ' ' THR . 1.8 m -55.86 -36.87 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.077 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -59.93 -18.49 45.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.51 -21.71 13.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 78' ' ' ALA . 8.0 t30 -133.7 113.38 12.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.586 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.99 -5.57 16.96 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.442 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . . . -69.64 -25.21 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 1.086 HG23 HG12 ' A' ' 73' ' ' VAL . 11.7 t -113.9 6.44 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.586 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -70.57 -13.34 62.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 8.14 30.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.99 124.99 42.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.634 ' HB1' ' HB3' ' A' ' 106' ' ' ASN . . . -89.62 121.16 31.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.797 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.57 148.65 23.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.611 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -119.1 137.32 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.502 HG23 ' HA3' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -132.69 113.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.02 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.59 128.74 41.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.558 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -152.83 161.98 41.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.148 . . . . 0.0 110.374 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.49 38.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.469 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.37 -59.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 43.18 74.04 0.21 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.9 124.53 39.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -55.13 -26.84 41.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.61 80.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -35.56 81.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.577 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 62.0 t -60.75 -47.84 91.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.27 -29.73 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 24.4 ttmt -61.11 -56.38 21.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.58 -47.92 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.52 -28.04 29.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -94.88 -22.9 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.815 ' O ' HD13 ' A' ' 102' ' ' LEU . 0.5 OUTLIER -65.75 -21.64 66.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.56 -20.13 2.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.458 ' N ' HD23 ' A' ' 70' ' ' LEU . . . -45.6 140.95 3.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 12.7 t30 -70.7 -42.79 70.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.634 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.5 t-20 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.596 HG23 ' HG2' ' A' ' 32' ' ' LYS . 2.6 tp -123.49 91.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -125.08 139.97 53.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.763 HG21 ' HB2' ' A' ' 31' ' ' PHE . 9.1 t -105.2 127.63 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.119 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.95 117.46 33.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.908 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.7 pp -135.44 110.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.3 p -132.43 129.69 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.852 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.8 m-20 -139.33 144.02 38.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.54 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.7 t70 -55.28 -51.12 67.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.74 142.83 28.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.349 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.6 t -69.76 -42.11 80.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.411 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -58.1 -35.18 71.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.422 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.478 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.69 -56.99 4.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.615 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.61 -29.39 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.409 1.068 . . . . 0.0 110.261 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -72.05 -43.62 64.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 17' ' ' THR . 15.2 mt -59.73 -56.96 15.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.975 HD13 HD11 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -55.87 -50.41 70.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.233 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -62.14 -30.97 77.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 12.5 t70 -75.79 -48.11 23.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.72 82.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mp -71.39 -26.59 62.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -59.71 -51.0 71.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.52 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -63.0 -12.44 25.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.757 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -98.05 -14.92 20.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.629 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.31 35.98 88.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.178 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.26 -104.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.966 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.596 ' HG2' HG23 ' A' ' 7' ' ' ILE . 9.7 tptt -164.3 -53.94 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.634 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 47.1 tp60 -156.42 122.7 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.178 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -95.32 112.55 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.688 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -124.67 116.75 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.09 141.24 52.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.849 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.34 130.83 14.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.74 -91.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.02 -172.12 3.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.46 -44.54 2.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 9.4 mt-10 -66.39 -56.11 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.87 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.73 -46.4 90.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.753 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -67.18 -25.65 73.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.497 ' SD ' ' CB ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -69.33 -51.82 33.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HG3' HD12 ' A' ' 46' ' ' ILE . 2.5 pttt -69.74 -30.45 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.87 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -72.9 -36.91 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -76.43 -46.63 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.415 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.37 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.237 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 5.4 mm-40 -52.04 -20.0 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.61 -174.83 0.43 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.1 152.82 40.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.569 1.826 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.652 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 19.0 p-80 -170.82 157.82 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.652 ' N ' ' O ' ' A' ' 8' ' ' LYS . 50.8 t-80 -146.08 14.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.647 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.582 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.16 133.0 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.119 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.9 t -132.35 94.85 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.975 HD11 HD13 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -113.56 137.52 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.524 ' N ' HD12 ' A' ' 56' ' ' ILE . 3.7 t -144.27 170.85 15.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.441 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -99.14 -173.77 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -116.39 16.65 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.54 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -57.92 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.067 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.667 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 3.9 ptm -158.72 49.68 0.34 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -74.95 138.5 23.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 18.9 mmtt -76.02 -20.23 57.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.498 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 2.5 tpt -136.23 84.66 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.4 t70 -76.25 172.99 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.75 -56.77 0.79 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.418 1.074 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.5 mt -56.87 -44.94 82.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -58.15 -39.79 92.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.054 HD12 HG11 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -65.3 -45.03 85.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.067 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.11 -43.38 87.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.727 ' N ' HD13 ' A' ' 70' ' ' LEU . 3.2 mt-30 -59.87 -36.0 75.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' CB ' ' SD ' ' A' ' 44' ' ' MET . . . -68.54 -45.31 72.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.067 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.1 m -55.58 -36.41 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -59.62 -20.3 54.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.1 -23.32 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 78' ' ' ALA . 11.5 t30 -132.42 113.43 14.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.534 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.96 -6.01 17.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.552 1.817 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . . . -70.54 -30.8 67.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 1.052 HG23 HG12 ' A' ' 73' ' ' VAL . 15.0 t -105.78 6.93 32.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.534 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -77.32 -7.0 55.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.362 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.1 9.02 30.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.551 ' CB ' ' NE2' ' A' ' 52' ' ' HIS . . . -104.68 128.08 52.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 106' ' ' ASN . . . -89.28 122.29 32.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.795 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.86 148.47 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.576 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.79 135.66 60.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.406 ' CG2' ' H ' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -135.18 112.84 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.012 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -96.42 130.22 43.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.6 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -151.64 161.48 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.88 38.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.474 ' H ' ' C ' ' A' ' 88' ' ' THR . 3.0 mp0 -124.66 -59.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.19 74.39 0.21 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.134 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -126.31 120.61 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -25.47 37.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.66 80.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -35.76 80.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.581 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 60.9 t -61.39 -47.4 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.566 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 6.6 tt0 -72.02 -30.56 65.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 3.9 ttpp -62.38 -55.16 30.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.3 -48.54 33.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.72 -28.0 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -94.76 -22.43 18.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.901 ' O ' HD13 ' A' ' 102' ' ' LEU . 1.3 tm? -66.4 -21.48 66.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.93 -19.19 2.35 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.96 139.0 10.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 27.4 t30 -74.96 -38.37 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.584 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.833 HD12 ' CB ' ' A' ' 53' ' ' HIS . 4.0 tp -121.4 91.34 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.77 141.36 51.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.29 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.817 HG21 ' HB2' ' A' ' 31' ' ' PHE . 11.9 t -101.83 127.36 55.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.107 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.82 117.18 33.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.899 ' N ' HD22 ' A' ' 10' ' ' LEU . 9.2 pt -136.37 110.95 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.809 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.0 p -132.94 130.99 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.839 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.2 m-20 -139.37 144.21 38.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.484 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.3 t70 -54.36 -48.1 71.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.14 141.52 28.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.255 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.546 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.5 t -68.82 -40.86 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -34.96 66.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.3 m -73.05 -57.67 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.01 -29.55 70.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.332 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -72.81 -44.52 61.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.39 -57.12 13.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.985 HD13 HD11 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -56.76 -50.01 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -62.34 -30.77 77.12 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.438 1.086 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 25.8 t0 -75.45 -47.89 25.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 0.824 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.88 83.12 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.67 -25.93 62.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.544 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -59.82 -50.85 72.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.512 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -61.76 -12.83 18.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 110.335 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -97.42 -14.66 21.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.61 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 66.92 35.18 89.14 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.207 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.32 -103.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.955 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -162.89 -54.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.611 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -157.95 125.33 5.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.207 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.33 111.47 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.648 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.33 116.54 23.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.72 140.35 52.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.809 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.62 130.85 14.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.77 -88.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -147.43 -172.01 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 0.793 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.21 -44.19 3.73 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.463 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.3 mt-10 -67.48 -55.01 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.515 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.76 -43.43 94.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.693 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.09 -23.96 77.2 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.594 1.184 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.436 ' HE3' ' HB2' ' A' ' 48' ' ' ALA . 7.9 tpt -68.2 -50.63 53.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -68.87 -42.08 77.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.515 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -65.18 -33.07 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.817 ' SD ' HG22 ' A' ' 55' ' ' VAL . 31.4 ttp -77.88 -46.5 21.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.09 -44.3 92.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.36 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -50.17 -20.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.639 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.75 -174.55 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.0 150.14 37.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.661 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 55.0 p-80 -165.78 155.55 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.544 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.833 ' CB ' HD12 ' A' ' 7' ' ' ILE . 43.2 t-80 -146.5 13.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.612 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.653 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.36 134.69 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.343 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.107 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.4 t -133.73 94.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.985 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -113.4 137.43 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.464 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -144.48 170.61 15.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.32 -174.18 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -113.86 16.03 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -57.96 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.667 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -159.29 48.99 0.29 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.04 138.96 23.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 40.8 mmtt -76.09 -19.74 58.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.455 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -135.74 78.88 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' GLY . 46.8 t0 -76.37 175.86 8.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.895 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -31.84 -62.16 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.5 mt -57.61 -45.61 85.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.64 -41.22 73.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.961 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -65.25 -41.8 93.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.072 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -59.59 -44.93 93.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.734 ' N ' HD13 ' A' ' 70' ' ' LEU . 4.7 mt-30 -60.59 -35.79 76.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.12 73.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.072 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.1 m -55.91 -36.68 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -60.01 -19.14 51.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.9 -22.73 13.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -129.33 113.32 18.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.551 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.2 -35.21 66.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 1.01 HG23 HG12 ' A' ' 73' ' ' VAL . 15.3 t -102.16 6.46 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -73.35 -11.72 60.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -107.44 8.09 29.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.24 128.75 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.546 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.58 121.73 32.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.814 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.84 148.76 22.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.577 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.78 136.53 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.171 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 tt -134.36 111.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.015 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.61 129.62 42.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.589 ' N ' HD22 ' A' ' 87' ' ' LEU . 5.7 t -151.92 162.73 40.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.05 38.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.534 ' HB2' HG23 ' A' ' 88' ' ' THR . 2.7 mp0 -125.34 -60.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.14 72.28 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.558 1.161 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -125.58 120.79 31.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 0.779 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -55.59 -25.93 41.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.69 80.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -35.51 79.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.6 t -61.29 -47.63 92.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.26 -29.13 63.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 1.3 ttpt -61.86 -55.92 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.04 -47.92 33.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.54 -27.79 27.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.41 -20.56 17.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.0 tp -66.11 -22.52 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.27 -19.17 1.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.578 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -48.18 154.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.733 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 37.9 t30 -85.63 -42.62 14.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.513 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.611 HG23 ' HG2' ' A' ' 32' ' ' LYS . 3.2 tp -121.97 89.59 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.39 1.056 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -124.8 138.2 54.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.786 HG21 ' HB2' ' A' ' 31' ' ' PHE . 13.7 t -102.46 126.8 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.106 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.66 116.98 33.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.898 ' N ' HD22 ' A' ' 10' ' ' LEU . 9.3 pt -136.15 111.07 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.841 HG21 ' O ' ' A' ' 37' ' ' ALA . 8.4 p -132.73 132.62 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.853 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.1 m-20 -138.21 145.06 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.534 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.5 t0 -57.5 -33.77 68.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.89 143.9 33.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.191 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.549 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 t -69.81 -41.27 79.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.4 -35.81 68.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.36 -58.22 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.549 ' CG ' ' HA ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -61.3 -30.41 70.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 3.3 tt -71.43 -43.33 66.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.72 -57.22 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.873 HD12 HD12 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -56.78 -49.6 74.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.36 -29.68 75.26 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.471 1.107 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 39.1 t70 -75.86 -47.87 23.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 0.809 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.22 -48.42 81.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.47 -25.96 62.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.618 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.6 mm-40 -61.07 -49.42 77.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -13.09 26.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -95.63 -13.5 24.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.211 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.618 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 68.66 34.99 79.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.183 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.35 -103.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 111.042 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.611 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -163.91 -53.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.638 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.09 124.33 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.183 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.3 111.0 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.653 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.68 117.07 24.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 0.0 110.414 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.74 140.97 52.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.841 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.65 131.13 14.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.81 -89.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.76 -172.46 3.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.33 -44.77 3.12 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.495 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 16.1 mt-10 -67.25 -55.01 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.83 ' O ' HD13 ' A' ' 46' ' ' ILE . 1.9 tt0 -59.74 -43.27 94.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.728 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.44 -23.67 77.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.434 ' HE3' ' HB2' ' A' ' 48' ' ' ALA . 9.0 tpt -69.0 -48.63 62.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.782 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.571 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -70.62 -39.93 73.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.83 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -67.26 -33.42 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.827 ' SD ' HG22 ' A' ' 55' ' ' VAL . 28.9 ttp -77.62 -46.79 21.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.434 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.69 -43.88 92.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -51.42 -20.09 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.639 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.03 -174.26 0.4 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.03 149.93 37.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.683 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 56.0 p-80 -166.34 156.48 12.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.587 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.679 ' N ' ' O ' ' A' ' 8' ' ' LYS . 40.0 t-80 -146.91 12.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.639 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.08 136.16 12.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.106 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.3 t -133.66 95.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.812 HD11 HD22 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.61 136.77 50.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.488 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -144.35 170.53 15.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.955 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.87 -173.46 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -115.21 16.97 16.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.029 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.534 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -59.25 -82.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.678 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 6.4 mtt -156.76 48.54 0.34 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.678 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -75.0 138.15 22.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.445 1.761 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.495 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 29.6 mmtt -76.34 -19.52 58.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 1.9 tpt -135.79 80.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.6 t70 -75.78 173.46 11.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.671 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -32.95 -58.63 0.47 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 67' ' ' LEU . 2.7 mt -57.86 -45.71 85.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.63 0.841 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -56.5 -42.52 90.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.971 HD22 ' CG1' ' A' ' 55' ' ' VAL . 1.5 mt -64.28 -39.88 94.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 0.777 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.063 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.74 -48.94 79.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -57.56 -35.37 70.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB2' ' HE2' ' A' ' 64' ' ' MET . . . -67.6 -45.72 74.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.063 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -56.01 -36.51 44.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -60.65 -19.9 59.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.66 -21.82 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -128.53 112.83 19.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.571 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -74.93 -4.85 16.03 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.14 66.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 1.002 HG23 HG12 ' A' ' 73' ' ' VAL . 15.1 t -101.93 6.51 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.571 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -71.78 -12.84 61.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.86 7.74 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.644 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -99.71 128.28 45.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.93 121.61 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.835 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.49 147.41 23.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.579 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -117.64 135.98 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -134.04 110.86 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.038 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.83 129.51 43.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.599 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -152.42 162.14 41.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 38.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' THR . 3.4 mp0 -125.13 -59.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.15 74.48 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -127.1 123.65 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -55.59 -26.83 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.48 81.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.07 -35.87 81.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.232 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.59 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 60.7 t -61.74 -47.15 94.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.04 -30.48 65.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -62.04 -55.22 31.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.8 -48.24 32.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.66 -27.55 28.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.31 -20.75 17.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.743 HD23 HD21 ' A' ' 70' ' ' LEU . 20.0 tp -66.41 -22.31 66.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.94 -16.21 2.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.764 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -52.19 144.84 11.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 35.2 t30 -76.3 -42.12 46.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.534 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.244 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.509 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.829 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.0 tp -115.14 92.35 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.228 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.632 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.97 143.11 49.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.882 HG21 ' HB2' ' A' ' 31' ' ' PHE . 11.6 t -101.78 125.15 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.099 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.2 116.35 31.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.875 ' N ' HD22 ' A' ' 10' ' ' LEU . 5.8 pt -136.3 110.25 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.8 p -131.8 132.48 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.796 ' CG ' HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -139.23 144.16 38.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.548 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 2.4 t70 -54.22 -52.19 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.83 142.91 29.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.224 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.8 t -69.38 -41.59 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -35.01 69.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.482 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 1.1 m -73.46 -57.25 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.92 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.625 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.72 -29.17 70.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.608 1.193 . . . . 0.0 110.33 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -72.37 -44.26 62.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.8 mt -58.63 -56.56 20.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.848 HD13 HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -56.08 -49.61 73.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.4 -29.54 73.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 44.7 t0 -76.86 -48.64 17.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 0.725 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.75 -47.42 85.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HG ' HD23 ' A' ' 29' ' ' LEU . 7.4 mp -71.65 -27.07 62.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.592 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 1.9 mm-40 -59.69 -47.8 84.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -13.45 62.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.835 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -90.84 -11.51 39.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.356 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.585 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 64.06 26.45 70.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.183 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -18.6 -98.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 111.047 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.607 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -161.69 -57.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.421 1.076 . . . . 0.0 109.383 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.641 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -158.25 129.33 6.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.183 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -92.49 111.64 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.62 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -125.66 115.0 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.394 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -126.36 142.9 51.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.849 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.55 130.71 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.1 -89.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.5 -172.42 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.81 -44.36 2.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.494 ' CG ' ' HB2' ' A' ' 63' ' ' LYS . 28.9 mm-40 -67.09 -55.85 12.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.89 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.5 -44.18 96.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.781 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.85 -26.06 74.85 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.5 tpt -68.71 -51.38 42.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.603 0.825 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -67.89 -34.46 76.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.89 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -70.4 -34.58 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.698 ' HG2' ' CG ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -77.74 -46.64 21.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.79 -42.6 99.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -50.8 -20.22 1.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.649 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -138.75 -174.43 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.649 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.99 150.01 37.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.698 ' CG ' ' HG2' ' A' ' 47' ' ' MET . 43.8 p-80 -163.61 158.08 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.629 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.829 ' CB ' HD12 ' A' ' 7' ' ' ILE . 70.1 t60 -147.15 14.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.529 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.711 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -157.51 134.33 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.099 HG13 ' CD1' ' A' ' 10' ' ' LEU . 24.1 t -134.38 94.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.848 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.35 138.82 43.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.523 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -144.57 170.57 15.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.436 ' HB2' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -97.79 -173.48 2.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.26 17.68 15.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.548 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -60.35 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.688 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -156.75 47.79 0.31 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 111.056 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.688 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.96 139.07 23.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.494 ' HB2' ' CG ' ' A' ' 41' ' ' GLU . 4.5 mmtp -76.19 -20.72 57.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.6 ' CE ' ' HB2' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -136.55 83.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 111.012 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.8 t70 -76.94 172.75 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.608 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -33.16 -58.7 0.5 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 67' ' ' LEU . 1.9 mt -57.96 -45.87 86.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.55 -42.7 84.86 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.048 HD22 HG11 ' A' ' 55' ' ' VAL . 1.4 mt -64.35 -39.12 93.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.002 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.43 -48.18 82.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -30.12 70.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.6 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -73.22 -45.19 57.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.014 HG13 ' O ' ' A' ' 69' ' ' LEU . 2.2 m -56.02 -36.41 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -60.12 -19.88 55.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.03 -24.4 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.678 ' HB3' HG22 ' A' ' 79' ' ' THR . 12.8 t30 -125.25 113.21 26.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.512 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.08 -5.83 17.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.25 -32.44 61.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.678 HG22 ' HB3' ' A' ' 76' ' ' ASN . 5.9 t -104.91 6.71 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.16 -18.18 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.426 ' N ' ' HE3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -101.18 7.87 42.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.652 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.29 128.23 44.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -90.52 121.5 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.832 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.75 148.8 22.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.613 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -118.37 136.6 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.417 HD13 ' OD1' ' A' ' 65' ' ' ASP . 1.9 tp -133.3 110.95 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.029 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.02 130.38 41.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.598 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -151.58 162.33 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.04 38.82 0.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.473 ' CD ' ' HG1' ' A' ' 88' ' ' THR . 2.4 mp0 -125.08 -59.84 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 46.48 72.15 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.55 121.92 31.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -26.86 37.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.11 83.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -36.13 82.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.9 t -61.46 -47.15 94.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.03 -30.87 65.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -60.96 -55.34 34.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 102' ' ' LEU . . . -74.01 -47.53 36.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.22 -27.43 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -98.0 -20.17 17.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.676 ' O ' HD13 ' A' ' 102' ' ' LEU . 3.4 tm? -66.8 -22.79 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.73 -19.67 1.82 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.731 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -50.61 144.28 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 0.819 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 32.9 t30 -75.3 -43.13 52.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.429 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.2 m120 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.791 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.3 tp -118.85 91.63 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.61 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.04 142.28 50.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.843 HG21 ' HB2' ' A' ' 31' ' ' PHE . 4.2 t -101.39 128.45 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.107 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.51 117.14 32.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.897 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.4 pp -136.28 110.47 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.786 HG21 ' O ' ' A' ' 37' ' ' ALA . 9.6 p -133.2 130.42 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.78 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.1 m-20 -140.96 143.42 34.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.473 ' CB ' ' CG ' ' A' ' 60' ' ' ASN . 9.9 t70 -55.35 -48.26 74.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.03 140.43 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.565 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.5 t -70.56 -41.39 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.26 -36.18 70.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.511 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 27.8 m -72.32 -56.9 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.575 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.37 -29.67 70.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 4.2 tt -73.17 -44.18 60.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.09 -57.56 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.831 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -57.09 -50.26 73.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -61.96 -30.61 75.88 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.1 t70 -75.64 -47.81 24.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.747 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.94 -44.99 83.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.432 ' HG ' HD23 ' A' ' 29' ' ' LEU . 6.8 mp -71.87 -26.46 62.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.559 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.37 -49.86 75.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.502 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -65.68 -13.16 58.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.893 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -94.52 -12.89 26.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.587 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 65.4 29.33 74.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.209 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -18.67 -101.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 0.729 . . . . 0.0 111.03 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.652 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -162.1 -56.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.227 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.574 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -159.16 126.85 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.209 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.2 pt -94.28 113.36 28.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.225 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.694 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -124.26 116.05 22.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.53 142.02 51.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.786 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.43 129.74 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.393 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.6 -90.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.31 -172.17 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -40.76 -40.51 2.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 1.8 tt0 -69.41 -57.87 4.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.555 ' O ' HD13 ' A' ' 46' ' ' ILE . 4.3 tt0 -59.92 -43.93 94.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.742 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -69.88 -26.26 74.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.488 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 5.6 tpt -68.14 -52.7 31.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 0.804 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CG ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -68.56 -33.46 74.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -70.06 -34.7 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.642 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -77.87 -46.48 21.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.435 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -63.27 -41.73 99.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.3 mm-40 -52.53 -20.23 2.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.221 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.623 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -137.07 -175.87 0.52 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.03 148.97 35.9 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.642 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 20.4 p-80 -165.78 158.91 15.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 109.643 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.791 ' CB ' HD12 ' A' ' 7' ' ' ILE . 45.6 t-80 -147.06 15.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.588 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.757 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.93 131.89 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.107 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.6 t -133.38 94.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -114.5 137.69 47.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.3 t -144.94 171.02 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.473 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -97.96 -173.21 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.436 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -116.05 17.77 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.557 ' H ' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -59.05 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.684 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -159.19 48.01 0.26 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.99 137.87 22.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . 44.9 mmtt -76.25 -19.52 58.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 3.5 tpp -136.05 81.56 1.89 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.7 t70 -77.49 175.33 9.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.884 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -32.51 -60.86 0.37 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 67' ' ' LEU . 1.8 mt -57.66 -45.7 85.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.6 -41.49 73.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.926 HD22 HG11 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -64.68 -43.27 94.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.036 ' O ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.39 -43.78 92.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.687 ' N ' HD13 ' A' ' 70' ' ' LEU . 8.8 mt-30 -59.66 -35.99 75.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.65 72.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.075 HG12 HG23 ' A' ' 79' ' ' THR . 2.0 m -55.64 -36.57 42.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.395 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -20.62 55.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.8 -25.08 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.509 HD22 ' HB3' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -131.9 114.86 15.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.509 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -74.99 -5.7 17.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.509 ' HB3' HD22 ' A' ' 76' ' ' ASN . . . -71.16 -32.97 69.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 1.075 HG23 HG12 ' A' ' 73' ' ' VAL . 14.2 t -102.74 7.07 39.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -78.21 -6.69 55.66 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 8.34 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.57 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.65 129.1 50.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.59 121.0 31.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.816 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.0 149.99 21.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.06 . . . . 0.0 111.048 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.588 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -121.52 134.26 65.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -132.04 113.1 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.4 130.67 42.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.594 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -150.76 161.25 43.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.404 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.12 38.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.484 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -124.9 -58.73 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.248 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.83 71.65 0.48 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -125.55 119.47 28.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -25.61 34.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.44 -48.45 81.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.17 -35.63 80.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.1 t -61.17 -47.61 92.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.566 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.1 -30.02 64.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 14.4 ttmt -61.47 -55.79 27.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.67 -48.23 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.72 -27.61 29.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.79 -21.34 17.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -66.69 -22.06 66.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.97 -20.75 1.78 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -49.74 146.04 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 24.8 t30 -81.35 -36.67 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.491 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.2 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.36 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.806 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.8 tp -122.91 92.05 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.606 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.91 139.36 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.816 HG21 ' HB2' ' A' ' 31' ' ' PHE . 10.9 t -100.79 127.54 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.078 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.59 117.15 33.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.9 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.4 pp -134.87 109.28 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.805 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.1 p -132.72 130.35 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.887 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.2 m-20 -139.35 144.83 38.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.528 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 3.3 t70 -56.04 -47.57 77.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' NE2' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -89.9 143.27 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.8 t -70.05 -42.6 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.417 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -58.51 -35.62 72.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 110.367 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.2 m -71.79 -57.8 4.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.012 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.61 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.09 -29.62 70.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.08 -44.66 65.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 mt -58.37 -56.89 16.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.887 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.79 -49.96 71.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.43 -29.38 73.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' LEU . 55.0 t0 -76.6 -47.89 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.01 83.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.004 HD13 HD23 ' A' ' 29' ' ' LEU . 1.8 mm? -71.33 -26.25 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.616 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -61.49 -49.13 78.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.336 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -12.91 29.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.004 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -95.28 -12.99 25.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.616 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.38 33.27 81.56 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.191 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.71 -103.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 111.029 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.66 ' HG2' HG23 ' A' ' 7' ' ' ILE . 13.1 tptt -163.51 -54.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.6 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.64 124.49 5.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.191 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.85 111.95 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.673 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.23 116.35 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.746 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.82 140.21 53.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.805 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.44 131.31 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.51 -89.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.21 -171.82 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.13 -43.93 3.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 12.8 mt-10 -67.72 -54.82 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.822 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.87 -44.3 94.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.679 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.63 -24.02 77.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.59 ' HB2' HD21 ' A' ' 69' ' ' LEU . 5.6 tpt -68.42 -49.13 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.776 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.552 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.68 -40.7 72.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.822 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.09 -33.83 66.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.859 ' SD ' HG22 ' A' ' 55' ' ' VAL . 30.0 ttp -77.49 -46.24 23.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.056 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.14 91.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 4.0 mm-40 -50.84 -19.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.638 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.5 -174.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.068 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.638 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -75.04 150.38 37.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.675 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 55.9 p-80 -166.47 155.8 11.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.549 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.806 ' CB ' HD12 ' A' ' 7' ' ' ILE . 50.0 t-80 -146.48 14.14 1.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.473 1.108 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.661 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -156.87 134.41 10.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.078 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.9 t -133.57 95.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.602 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -115.73 135.47 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.18 171.04 14.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.55 -173.56 2.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -115.49 15.46 16.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.528 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -57.15 -80.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.668 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -159.0 49.38 0.31 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.566 1.166 . . . . 0.0 111.049 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -74.93 138.93 23.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 11.8 mmtm -76.12 -19.52 58.44 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.488 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -138.01 83.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' GLY . 44.7 t0 -76.11 173.69 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.213 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.88 -60.91 0.4 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 67' ' ' LEU . 1.6 mt -57.11 -46.42 82.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -52.67 -44.79 60.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.006 HD12 HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -65.97 -38.17 87.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.079 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -59.14 -45.34 91.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.659 ' N ' HD13 ' A' ' 70' ' ' LEU . 36.9 mt-30 -61.34 -35.8 78.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.247 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.12 75.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.079 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -55.79 -36.7 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.222 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -59.51 -21.05 59.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.51 -24.93 14.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -125.97 113.43 24.32 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.585 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.03 -4.03 14.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.62 -36.37 68.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.872 HG23 HG12 ' A' ' 73' ' ' VAL . 10.4 t -102.94 7.32 39.23 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.587 1.179 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.585 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -71.92 -11.77 60.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 8.52 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.595 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.47 127.62 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.81 121.06 31.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.823 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.57 147.26 24.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.62 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -118.31 135.71 57.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 tt -132.54 111.64 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.041 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.51 128.97 41.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.594 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.8 p -150.27 162.15 41.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.82 37.66 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.9 mp0 -125.16 -59.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.94 72.08 0.48 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -124.71 116.19 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -55.6 -24.62 34.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.98 79.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -35.9 80.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.573 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 49.0 t -61.51 -47.46 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -71.71 -30.45 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 11.0 ttmt -62.23 -55.66 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.85 -49.18 31.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.781 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -52.83 -27.98 20.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.03 -20.15 18.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.809 ' O ' HD13 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -66.47 -21.97 66.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.03 -15.85 1.53 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.781 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -52.65 146.3 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 29.6 t30 -76.23 -40.9 50.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.423 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 4.5 m-20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.52 0.2 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.5 -30.67 9.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -146.79 107.23 4.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.38 -34.11 60.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.483 ' HB3' HG22 ' A' ' 7' ' ' ILE . 17.0 mt-10 -92.73 -46.07 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.17 27.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.852 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.3 tp -122.52 93.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.622 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.34 142.46 49.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.872 HG21 ' HB2' ' A' ' 31' ' ' PHE . 7.8 t -101.88 127.54 55.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.099 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.4 117.26 33.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.912 HD13 ' CD1' ' A' ' 22' ' ' LEU . 1.5 pp -135.1 108.95 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.716 HG21 ' O ' ' A' ' 37' ' ' ALA . 14.4 p -132.39 130.1 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.863 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.4 m-20 -139.41 144.28 38.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.522 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.6 t70 -57.53 -45.57 84.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.96 142.85 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.657 HG13 ' NH1' ' A' ' 19' ' ' ARG . 2.7 t -71.18 -42.42 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.59 -36.96 72.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.441 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 15.8 m -72.34 -56.89 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.657 ' NH1' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -62.45 -29.51 70.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.47 -43.83 65.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.8 mt -59.21 -56.73 18.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.912 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -55.64 -49.24 73.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.33 -29.59 74.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 30.6 t70 -76.47 -48.59 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.7 84.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.075 HD13 HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -70.93 -27.27 63.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.58 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.8 mm-40 -60.73 -47.9 84.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -68.34 -12.98 61.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.075 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -93.32 -12.55 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.585 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 65.26 29.21 74.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.226 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.1 -100.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.024 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.685 ' HG2' HG23 ' A' ' 7' ' ' ILE . 4.3 tptt -162.22 -56.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.79 126.99 5.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.226 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -94.27 112.36 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.674 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.05 115.83 22.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.19 140.82 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.716 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.28 129.69 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 34.14 -89.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.546 1.154 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.5 -171.23 3.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.7 -43.5 4.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.6 mt-10 -67.72 -56.1 10.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.516 ' O ' HD13 ' A' ' 46' ' ' ILE . 1.5 tt0 -59.59 -42.47 92.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.683 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.33 -24.17 76.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 7.0 tpt -69.45 -48.62 60.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.494 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.67 -41.67 71.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -65.71 -33.77 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.851 ' SD ' HG22 ' A' ' 55' ' ' VAL . 35.8 ttp -77.35 -46.75 21.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.46 88.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 13.6 mm-40 -49.81 -20.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.632 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -133.51 -175.03 0.44 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -74.95 149.74 37.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.673 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 56.2 p-80 -167.01 155.62 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.626 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.852 ' CB ' HD12 ' A' ' 7' ' ' ILE . 69.9 t60 -147.2 14.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.671 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.07 134.85 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.099 HG13 ' CD1' ' A' ' 10' ' ' LEU . 26.3 t -134.18 96.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -115.87 134.77 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.62 170.83 15.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.95 -173.76 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -114.31 17.04 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.522 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.8 OUTLIER -57.33 -81.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.662 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -159.96 49.81 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.662 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.01 140.33 25.3 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.545 1.813 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.469 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 32.4 mmtt -75.7 -19.83 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.486 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -138.96 84.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 68' ' ' GLY . 28.6 t0 -76.03 176.49 7.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -33.91 -60.43 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.2 mt -56.69 -44.91 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.4 -43.02 76.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.986 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -65.16 -42.02 94.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.034 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.85 -45.13 86.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.718 ' N ' HD13 ' A' ' 70' ' ' LEU . 72.3 mt-30 -60.87 -35.59 76.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.2 -45.42 69.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.034 HG22 ' O ' ' A' ' 70' ' ' LEU . 1.8 m -55.58 -36.3 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -59.94 -20.06 55.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.38 -23.74 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.444 ' HB3' HG22 ' A' ' 79' ' ' THR . 6.0 t30 -127.99 113.5 20.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.06 -5.38 16.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.96 -34.22 66.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.643 HG23 HG12 ' A' ' 73' ' ' VAL . 8.5 t -104.08 7.29 36.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.389 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.543 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -73.4 -10.99 60.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -106.93 7.46 30.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.601 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.09 127.43 43.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.533 ' HB3' HG22 ' A' ' 124' ' ' VAL . . . -89.52 121.83 32.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.817 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.44 149.86 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -121.68 136.56 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -134.16 112.01 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.006 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.62 129.01 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.597 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -151.58 162.4 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.423 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.72 38.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.0 OUTLIER -125.1 -59.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.8 73.73 0.25 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -126.67 118.23 24.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -21.88 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.8 -48.72 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -35.63 80.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.575 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 48.0 t -62.05 -47.14 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.15 -30.41 64.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.7 tttm -62.19 -55.27 30.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.26 -48.28 36.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.629 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.89 -27.83 32.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.43 -21.64 18.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.892 HD13 ' O ' ' A' ' 102' ' ' LEU . 2.4 tm? -66.88 -21.78 66.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.05 -19.71 1.76 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.629 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -49.63 145.78 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 30.2 t30 -77.86 -41.69 36.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.532 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -171.21 126.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -122.35 112.87 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.682 HD11 HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -122.69 154.62 37.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.603 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -93.79 155.64 17.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.444 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 7.2 ttpt -110.3 84.14 3.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.1 Cg_endo -75.01 156.7 42.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -74.8 -15.19 60.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.3 141.77 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.568 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.3 pt -72.39 -27.28 25.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -47.75 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.414 ' HB3' ' HG3' ' A' ' 111' ' ' PRO . 19.2 mttt -75.76 -44.04 43.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.416 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 5.8 tpt -63.44 -42.07 98.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 22.0 ttpt -68.7 -31.98 71.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.54 -46.43 59.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.74 -52.35 65.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.616 HD13 HD22 ' A' ' 29' ' ' LEU . 1.2 pp -61.93 -44.96 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -56.41 -26.64 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.53 -42.79 12.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.682 HG23 HD11 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -61.3 -30.87 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -85.88 -55.63 3.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -62.0 -64.74 3.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.89 66.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -95.8 127.15 41.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mtp . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.461 0.172 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -15.69 63.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.552 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -142.98 104.91 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.04 -33.59 52.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.573 ' HB3' HG22 ' A' ' 7' ' ' ILE . 14.3 mt-10 -92.32 -44.92 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER 38.68 29.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.765 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.1 tp -120.61 92.01 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.16 143.23 49.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.98 HG21 ' HB2' ' A' ' 31' ' ' PHE . 16.5 t -102.16 124.99 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.066 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -107.7 117.62 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.968 HD13 ' CD1' ' A' ' 22' ' ' LEU . 1.6 pp -136.49 112.07 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.1 p -132.67 131.07 59.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.83 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.3 m-20 -139.38 143.84 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 2.1 t70 -56.21 -50.91 69.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.65 144.21 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.57 1.169 . . . . 0.0 110.218 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.463 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 3.3 t -70.64 -42.54 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.7 -36.09 69.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.454 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.446 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -72.28 -57.9 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.998 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.638 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.35 -29.06 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.602 1.188 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.4 tt -72.3 -43.22 64.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.49 -56.61 19.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.968 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -55.91 -50.69 70.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.82 -31.0 76.68 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.552 1.158 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 18.0 t70 -74.71 -48.56 25.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 0.728 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.838 ' HB1' ' SD ' ' A' ' 117' ' ' MET . . . -56.83 -43.0 80.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.694 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 7.0 mp -72.68 -27.76 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.51 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -56.15 -49.82 72.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.1 mt-30 -66.03 -12.75 57.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.869 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -101.57 -19.97 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 60.87 37.39 93.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.11 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -21.52 -93.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 110.971 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG3' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -158.66 -57.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.359 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.612 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.01 129.27 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.11 HG23 ' CE2' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -93.66 111.1 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.677 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.08 115.27 21.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.96 143.33 50.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.849 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -151.28 130.36 12.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.62 -89.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -147.12 -173.34 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -38.32 -46.26 1.94 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 16.5 mt-10 -66.24 -55.46 16.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 0.749 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.922 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -60.02 -43.8 95.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.796 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -70.02 -26.25 74.56 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -67.1 -50.1 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 0.0 110.989 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -69.82 -32.98 71.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.922 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -71.44 -33.38 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.666 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 1.1 tmm? -79.6 -46.52 17.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.466 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.04 -41.54 98.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 1.5 mm100 -51.83 -20.21 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -139.12 -175.32 0.47 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.0 149.96 37.43 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.666 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 25.4 p-80 -164.68 157.34 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.634 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.765 ' CB ' HD12 ' A' ' 7' ' ' ILE . 29.6 t-80 -147.4 15.27 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.601 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.633 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -157.17 132.18 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.066 HG13 ' CD1' ' A' ' 10' ' ' LEU . 45.1 t -133.18 95.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.967 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -113.83 137.01 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.468 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.2 t -144.6 170.06 16.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.29 -173.34 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -114.91 17.47 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' C ' ' CG ' ' A' ' 61' ' ' MET . 0.4 OUTLIER -59.08 -81.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.666 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -157.85 49.28 0.35 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.951 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.666 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -74.97 136.42 20.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 15.1 mmtt -75.83 -19.55 58.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.486 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 1.2 tpt -135.49 81.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.694 ' OD1' HD13 ' A' ' 86' ' ' ILE . 28.3 t0 -77.16 173.97 11.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.27 -60.18 0.6 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.5 mt -56.83 -45.12 82.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 0.78 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.64 -42.24 66.86 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.998 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -63.76 -44.8 92.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 0.807 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.052 HD22 ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -56.07 -41.62 75.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.679 ' N ' HD13 ' A' ' 70' ' ' LEU . 7.0 mt-30 -63.49 -35.59 80.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.02 -45.41 63.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.23 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.002 HG12 HG23 ' A' ' 79' ' ' THR . 1.4 m -56.02 -36.58 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -60.38 -17.65 45.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.36 -22.73 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -133.38 114.32 13.47 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.424 1.077 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.573 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.0 Cg_endo -75.04 -6.3 17.86 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.418 1.746 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.38 -26.76 63.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 1.002 HG23 HG12 ' A' ' 73' ' ' VAL . 14.2 t -111.26 6.9 20.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.573 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.66 -14.15 60.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.5 8.66 39.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.583 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.77 125.99 47.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.731 ' HB1' ' HB3' ' A' ' 106' ' ' ASN . . . -89.61 121.12 31.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.777 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.07 149.12 22.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.631 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -121.35 136.37 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.598 1.186 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.694 HD13 ' OD1' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -134.62 111.43 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.02 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.77 129.96 41.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.566 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -152.13 163.58 39.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 38.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.247 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' A' ' 88' ' ' THR . 2.5 mp0 -124.88 -60.2 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.51 72.39 0.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -125.41 118.68 26.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -55.25 -22.31 17.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.42 -48.54 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -35.68 78.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 107' ' ' VAL . 54.1 t -62.03 -47.14 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.563 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -72.22 -30.21 64.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.0 ttmt -62.2 -54.76 36.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.13 -47.92 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.27 -27.67 36.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.17 -23.24 17.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 25.0 tp -65.34 -22.59 66.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.78 -19.29 2.0 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -49.26 144.32 5.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 31.3 t30 -77.45 -40.2 44.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.731 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.9 t-20 -171.29 125.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.66 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -125.99 112.44 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.533 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 6.1 mt -135.07 152.28 51.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.677 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -101.54 149.17 24.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 110' ' ' LYS . 11.8 pttt -74.57 106.77 2.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.677 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.3 Cg_endo -74.91 157.28 43.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.6 -5.34 58.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.2 m -109.6 145.41 36.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.4 pt -68.67 -25.33 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.76 -44.84 80.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.309 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 111' ' ' PRO . 0.1 OUTLIER -77.17 -36.88 54.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.235 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.838 ' SD ' ' HB1' ' A' ' 25' ' ' ALA . 7.4 mtt -72.17 -39.54 68.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.938 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 2.3 ttpt -73.68 -32.29 63.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.39 -47.08 24.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.77 -49.7 74.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.182 . . . . 0.0 109.334 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.821 HG21 ' CD2' ' A' ' 29' ' ' LEU . 2.3 pp -62.5 -45.8 97.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -56.23 -26.51 51.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.37 -43.01 12.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.393 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 121' ' ' ILE . 0.4 OUTLIER -61.56 -31.14 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -87.51 -51.41 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -64.75 -66.3 2.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.23 61.52 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -95.82 127.16 41.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mtp . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.492 0.187 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.8 -23.3 10.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.473 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -145.44 108.97 4.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.41 -36.83 64.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.475 ' C ' ' N ' ' A' ' 7' ' ' ILE . 15.2 mt-10 -94.0 -46.94 6.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 43.34 23.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 1.137 . . . . 0.0 109.203 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.634 HD12 ' CB ' ' A' ' 53' ' ' HIS . 3.1 tp -124.01 91.59 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.718 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -123.54 139.55 53.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.831 HG21 ' HB2' ' A' ' 31' ' ' PHE . 8.9 t -102.4 128.49 55.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.089 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.27 117.33 33.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.906 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.5 pp -135.23 110.31 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.367 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.795 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.6 p -132.82 129.45 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.887 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.2 m-20 -138.97 143.78 38.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.525 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.4 t70 -53.48 -50.8 64.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.28 143.55 26.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.7 t -69.99 -41.95 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -35.83 70.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.44 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -72.67 -57.46 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.58 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.67 -29.18 70.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -71.8 -43.77 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.23 -57.03 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.887 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.8 -49.22 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.82 -29.11 73.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' LEU . 63.0 t0 -76.45 -48.04 21.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.797 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.29 81.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.67 -26.49 62.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.623 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.85 -48.85 79.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.6 -13.08 38.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 110.337 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.621 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -95.35 -12.95 25.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.618 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.86 34.12 81.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.186 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.08 -103.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 0.738 . . . . 0.0 110.913 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.528 ' HG3' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -163.37 -54.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.605 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.64 124.33 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.168 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.186 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.4 112.19 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.676 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.27 116.45 23.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.28 140.58 52.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.795 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.59 130.38 14.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.05 -89.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.3 -171.1 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.98 -44.67 4.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.44 1.088 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.7 mt-10 -66.93 -55.1 16.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.835 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.68 -43.76 93.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.702 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.93 -24.19 76.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.609 ' HE3' ' HB2' ' A' ' 48' ' ' ALA . 7.3 tpt -67.85 -50.99 53.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.529 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.69 -39.92 76.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.835 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.64 -32.8 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.834 ' SD ' HG22 ' A' ' 55' ' ' VAL . 29.3 ttp -78.61 -46.64 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.609 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.6 -43.72 92.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 11.6 mm-40 -52.46 -19.72 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.635 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.3 -174.59 0.41 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.635 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.07 149.74 36.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.679 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 56.1 p-80 -166.81 155.48 10.31 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 109.531 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.718 ' N ' ' O ' ' A' ' 8' ' ' LYS . 82.1 t60 -146.31 12.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.64 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.47 136.21 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.089 HG13 ' CD1' ' A' ' 10' ' ' LEU . 24.3 t -133.57 96.53 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.867 HD11 HD13 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -114.78 135.33 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.229 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.533 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -142.32 171.04 14.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.95 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' CG ' ' HB3' ' A' ' 18' ' ' SER . 0.3 OUTLIER -100.37 -174.07 2.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -114.41 15.46 17.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.525 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -57.36 -81.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 109.25 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.663 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 2.6 ptm -159.46 49.73 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.663 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -75.0 139.9 24.81 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.548 1.815 . . . . 0.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 10.0 mmtm -75.59 -19.54 59.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.5 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -139.71 85.39 2.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' GLY . 25.0 t0 -76.39 174.74 9.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.76 -60.48 0.4 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.5 mt -56.29 -45.73 80.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.77 -42.9 69.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.014 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -65.43 -40.03 92.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.253 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.038 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.11 -45.44 87.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.673 ' N ' HD13 ' A' ' 70' ' ' LEU . 20.7 mt-30 -61.34 -35.81 78.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.58 -45.06 73.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.038 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.1 m -56.03 -36.55 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -59.66 -19.99 53.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.13 -25.44 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.645 ' HB3' HG22 ' A' ' 79' ' ' THR . 10.8 t30 -125.64 114.11 25.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.237 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.504 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -75.02 -6.09 17.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.443 1.759 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.39 -33.05 62.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.645 HG22 ' HB3' ' A' ' 76' ' ' ASN . 5.1 t -104.25 6.73 35.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.4 1.063 . . . . 0.0 110.389 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.504 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.45 -16.4 61.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' N ' ' HE2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -102.39 8.49 40.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.229 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.598 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.17 126.62 42.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.58 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.22 122.68 32.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.82 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.37 148.05 24.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.618 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -117.75 136.42 54.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 tt -132.2 111.59 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.01 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.86 129.09 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.589 ' N ' HD22 ' A' ' 87' ' ' LEU . 2.6 t -151.75 162.61 40.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.84 38.24 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.42 -59.1 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.172 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.0 70.15 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.462 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -124.26 116.96 23.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -56.14 -24.38 40.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.61 81.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 92' ' ' ASP . 1.7 mp -67.96 -35.87 79.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.69 HG13 ' HB ' ' A' ' 107' ' ' VAL . 55.0 t -61.85 -47.28 93.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.564 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 7.6 tt0 -72.1 -29.96 64.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 2.6 tptt -61.05 -55.83 28.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.07 -48.52 29.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.742 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.16 -27.96 23.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.71 -21.29 17.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.244 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.7 tp -65.6 -22.43 66.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.86 -21.53 1.14 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.51 152.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 32.5 t30 -82.09 -50.52 8.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 2.0 m120 -160.94 126.29 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.69 ' HB ' HG13 ' A' ' 96' ' ' VAL . 2.0 t -116.32 114.35 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.92 HD23 HG23 ' A' ' 124' ' ' VAL . 1.1 mm? -118.81 151.55 37.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.551 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -98.52 155.81 17.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.424 ' NZ ' ' HG ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -112.49 77.31 2.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.553 ' HG2' ' N ' ' A' ' 117' ' ' MET . 18.4 Cg_endo -74.95 158.03 42.65 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.88 -22.25 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 117' ' ' MET . 0.6 OUTLIER -85.43 140.28 30.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.576 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.4 pt -71.88 -26.88 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -47.67 71.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.542 ' HB3' ' CG ' ' A' ' 111' ' ' PRO . 0.1 OUTLIER -71.29 -43.67 66.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.553 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -67.3 -41.54 85.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 7.2 ttpp -61.73 -35.14 77.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.33 -43.39 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.04 -50.03 72.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.569 ' O ' HG12 ' A' ' 124' ' ' VAL . 27.7 pt -60.69 -43.72 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -29.29 58.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.37 -45.19 13.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.92 HG23 HD23 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -60.26 -30.84 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -81.89 -57.5 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -61.84 -66.83 2.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.36 66.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.401 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -93.68 127.05 39.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.498 0.19 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.447 ' O ' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -145.92 -44.76 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.596 1.185 . . . . 0.0 109.952 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.467 ' HG ' ' HG3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -149.05 109.95 4.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.13 -36.7 66.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' C ' ' N ' ' A' ' 7' ' ' ILE . 16.9 mt-10 -94.6 -47.39 6.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 43.57 22.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.689 HG23 ' HG2' ' A' ' 32' ' ' LYS . 2.7 tp -125.45 93.18 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.684 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -124.29 142.21 51.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.82 HG21 ' HB2' ' A' ' 31' ' ' PHE . 10.2 t -104.54 128.56 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.13 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.86 117.41 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.907 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.6 pp -134.87 111.02 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.808 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.2 p -133.05 127.36 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.622 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.0 m-20 -139.46 142.78 37.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.555 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.3 t0 -56.02 -47.8 77.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -86.92 139.9 30.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 20' ' ' LEU . 3.0 t -69.92 -41.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.433 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -57.16 -36.01 70.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.362 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.514 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.17 -56.97 4.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.695 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.64 -28.45 69.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.345 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -73.33 -45.61 54.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 17' ' ' THR . 15.9 mt -59.8 -56.06 26.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.849 HD11 HD13 ' A' ' 11' ' ' ILE . 2.3 pp -56.38 -48.79 76.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.57 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -63.62 -29.62 75.2 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' LEU . 26.2 t0 -76.08 -48.02 22.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.09 82.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.398 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.31 -26.43 62.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.606 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -61.02 -49.02 79.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -13.24 56.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.743 HD13 HD13 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -93.91 -13.26 27.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.43 31.42 76.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.2 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -18.97 -102.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 111.017 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.689 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -162.92 -55.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.619 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -159.09 125.33 4.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.2 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.66 112.11 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.725 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -123.35 116.17 22.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.45 140.59 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 109.222 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.808 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.12 130.68 14.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.204 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.78 -90.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.565 1.165 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -146.08 -171.93 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.46 -44.97 3.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.3 mt-10 -66.38 -55.45 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.887 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -60.42 -45.11 94.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.248 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.728 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.9 -25.89 75.0 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.486 1.116 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.5 tpt -68.17 -50.71 52.66 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.467 0.745 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.527 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.89 -30.9 67.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -72.52 -35.51 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.657 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -77.93 -46.11 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.78 -42.79 99.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 6.4 mm-40 -53.96 -19.2 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.631 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.22 -174.86 0.43 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.631 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.99 152.57 40.96 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.768 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.657 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 17.1 p-80 -171.91 158.79 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.684 ' N ' ' O ' ' A' ' 8' ' ' LYS . 74.5 t60 -147.45 14.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.533 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.551 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.13 133.23 10.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.13 HG13 ' CD1' ' A' ' 10' ' ' LEU . 27.4 t -132.42 94.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.778 HG12 HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -117.18 138.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.39 171.25 15.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.499 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -93.69 -172.9 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -117.71 17.03 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.555 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -57.48 -80.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.689 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 mtt -156.63 48.14 0.33 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.07 137.73 21.93 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 8.0 mmtt -76.68 -19.74 57.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.484 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -135.0 81.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' GLY . 24.9 t0 -76.0 173.1 11.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.506 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -33.5 -57.71 0.57 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.8 mt -58.44 -45.78 87.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.24 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.3 -44.53 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.069 HD22 HG11 ' A' ' 55' ' ' VAL . 1.5 mt -62.94 -39.09 93.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.066 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -60.32 -48.84 80.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.79 -35.67 68.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.0 -46.11 75.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.066 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -56.15 -36.08 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.16 -19.62 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.259 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.16 -22.03 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -130.67 112.9 16.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.498 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -74.96 -5.8 17.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.786 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.89 -33.62 66.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 1.006 HG23 HG12 ' A' ' 73' ' ' VAL . 13.2 t -102.74 6.84 39.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -76.08 -7.45 54.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 8.53 29.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.631 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.62 128.7 50.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.421 1.076 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.697 ' HB3' HG22 ' A' ' 124' ' ' VAL . . . -89.68 121.01 31.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.826 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.34 149.87 21.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -122.57 134.93 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.456 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -131.22 113.13 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.352 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.007 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -93.7 130.75 39.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.627 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.2 t -151.25 161.92 41.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.8 38.27 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.0 OUTLIER -126.14 -59.69 1.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.96 72.22 0.41 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.437 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -127.07 122.08 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 94' ' ' ALA . 8.3 ptt180 -55.11 -26.54 38.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 93' ' ' ARG . . . -60.41 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -35.94 81.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 107' ' ' VAL . 61.4 t -61.29 -47.87 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.8 OUTLIER -71.71 -29.95 65.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -61.53 -55.93 25.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.83 -47.92 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.7 -27.51 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.24 -21.07 17.48 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.431 1.082 . . . . 0.0 109.246 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 36.3 tp -66.39 -22.56 66.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.0 -19.15 1.59 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.9 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -54.23 146.21 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.407 0.71 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 18.2 t30 -80.66 -37.14 31.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.499 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.1 m-20 -170.84 127.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.697 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -128.27 112.68 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 1.6 mt -134.3 154.86 51.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.625 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -105.76 148.69 27.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 108.08 5.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.625 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.5 Cg_endo -75.03 158.06 42.3 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.76 -3.13 58.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.5 m -113.68 145.27 41.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.3 pt -70.02 -25.17 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -44.06 80.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.252 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.419 ' HB3' ' CB ' ' A' ' 111' ' ' PRO . 0.4 OUTLIER -76.04 -38.01 57.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.61 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 10.2 tmm? -72.83 -37.92 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 14.6 ttpt -72.41 -32.67 66.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.46 -45.91 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.72 -48.83 78.48 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.743 HD13 HD13 ' A' ' 29' ' ' LEU . 2.3 pp -63.18 -45.86 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.71 -25.66 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.39 -43.17 11.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.697 HG22 ' HB3' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.54 -35.67 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -84.0 -52.16 6.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -62.74 -66.85 2.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.36 67.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -94.4 126.99 40.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtp . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.502 0.191 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.27 -14.43 43.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.062 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.594 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.59 105.7 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.76 -34.02 62.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.7 ' HB3' HG22 ' A' ' 7' ' ' ILE . 11.1 mt-10 -92.23 -43.52 9.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER 38.2 30.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.806 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.0 tp -117.98 91.23 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.598 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.03 142.58 49.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' ' 31' ' ' PHE . 3.3 t -101.26 127.31 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.102 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.07 117.83 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.908 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.5 pp -136.61 111.06 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.857 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.5 p -132.59 130.84 59.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.824 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.8 m-20 -140.05 144.29 36.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.494 ' CB ' ' CG ' ' A' ' 60' ' ' ASN . 3.8 t70 -58.56 -32.53 68.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -103.06 140.37 37.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.572 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.6 t -71.09 -41.32 76.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.41 -37.02 72.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.462 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.508 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.2 m -71.79 -57.26 4.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.944 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.04 -30.57 71.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 3.7 tt -71.04 -44.19 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.61 -57.06 12.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.971 HD13 HD11 ' A' ' 56' ' ' ILE . 1.9 pp -57.0 -47.36 81.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' HD12 ' A' ' 22' ' ' LEU . . . -66.05 -30.31 76.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 7.8 t0 -73.49 -48.41 33.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB1' ' CE ' ' A' ' 117' ' ' MET . . . -56.59 -44.78 81.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -72.01 -25.97 62.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.579 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -61.2 -49.8 75.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.501 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -64.03 -12.39 37.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.825 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -96.43 -14.03 22.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.588 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 67.17 31.27 77.1 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.21 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.73 -101.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.771 . . . . 0.0 110.962 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -162.4 -56.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.584 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -158.91 126.99 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.21 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -95.76 112.47 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.676 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -122.65 117.04 24.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.87 140.9 52.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.857 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.99 130.54 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.06 -90.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -145.91 -171.97 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -40.77 -43.82 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.492 ' CG ' ' HB2' ' A' ' 63' ' ' LYS . 4.9 mm-40 -67.15 -55.46 14.08 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.505 0.768 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.579 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -60.34 -45.11 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.721 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -69.92 -25.12 75.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.429 1.081 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.477 ' SD ' HD11 ' A' ' 69' ' ' LEU . 5.1 tpt -68.41 -49.73 57.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.521 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 2.0 ptmt -70.87 -32.56 69.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.579 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.2 mp -72.49 -33.18 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.654 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -79.38 -46.97 16.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.28 99.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 4.8 mm-40 -51.53 -19.95 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -138.16 -175.36 0.47 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.5 Cg_endo -75.01 149.53 36.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.654 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 23.3 p-80 -165.21 157.14 15.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.592 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.806 ' CB ' HD12 ' A' ' 7' ' ' ILE . 41.6 t-80 -146.9 15.36 1.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.508 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.775 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.55 133.16 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.102 HG13 ' CD1' ' A' ' 10' ' ' LEU . 22.7 t -134.13 94.18 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.971 HD11 HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -113.74 136.67 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.534 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -144.15 171.37 14.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.466 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -98.16 -173.52 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -114.03 17.44 17.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 111.051 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.545 ' ND2' ' H ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -58.5 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.672 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -160.03 48.76 0.27 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.672 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.03 137.14 21.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.492 ' HB2' ' CG ' ' A' ' 41' ' ' GLU . 27.1 mmtt -76.18 -19.66 58.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.439 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -136.96 80.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' GLY . 43.6 t0 -77.62 177.62 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.53 -63.01 0.29 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.3 mt -57.68 -45.34 85.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 0.719 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -49.66 -46.83 38.43 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.593 1.183 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.018 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -64.34 -40.21 95.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.06 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.31 -45.36 84.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.715 ' N ' HD13 ' A' ' 70' ' ' LEU . 8.8 mt-30 -61.82 -35.91 79.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.67 -45.02 72.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.08 HG12 HG23 ' A' ' 79' ' ' THR . 2.0 m -55.56 -36.96 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.569 ' NH2' HD22 ' A' ' 102' ' ' LEU . 7.5 mtm180 -59.42 -19.16 45.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.67 -23.51 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -131.74 113.75 15.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -75.0 -4.32 15.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.42 1.748 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.5 -30.76 64.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 1.08 HG23 HG12 ' A' ' 73' ' ' VAL . 15.0 t -106.17 7.15 31.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.529 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.51 -16.49 60.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' N ' ' HE2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -100.64 8.64 43.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.504 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.65 126.32 47.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.643 ' HB1' ' HB3' ' A' ' 106' ' ' ASN . . . -89.66 121.24 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.787 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.51 150.09 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 111.048 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.891 HD11 HD12 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -122.04 136.27 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.516 HG22 HG12 ' A' ' 107' ' ' VAL . 3.3 tt -133.46 113.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.0 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.3 129.3 42.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.589 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.2 t -151.28 161.8 42.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.79 38.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.173 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -124.51 -59.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.09 71.81 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.454 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -122.61 111.14 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -55.41 -24.48 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.89 -48.64 79.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -35.13 78.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 107' ' ' VAL . 59.3 t -61.42 -47.71 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -71.88 -30.97 65.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 3.6 ttmm -63.26 -54.91 29.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.53 -49.16 34.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.882 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.17 -28.89 28.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -92.06 -24.13 19.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.569 HD22 ' NH2' ' A' ' 74' ' ' ARG . 1.4 tt -66.35 -20.97 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.9 -25.1 0.92 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.882 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.73 140.95 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -79.67 -37.07 36.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.643 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.5 t-20 -171.62 125.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.6 OUTLIER -124.92 112.43 31.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.891 HD12 HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.17 141.97 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.651 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -95.4 151.13 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -72.75 107.43 3.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.651 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.5 Cg_endo -74.98 158.39 42.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -89.43 -2.81 58.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.543 HG22 ' H ' ' A' ' 115' ' ' GLU . 47.2 m -120.83 146.32 46.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.509 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.8 pt -68.21 -23.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.543 ' H ' HG22 ' A' ' 113' ' ' THR . 0.6 OUTLIER -66.62 -44.27 82.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -39.06 59.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 109.239 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.551 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -71.31 -38.56 71.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 7.7 ttmt -72.14 -32.38 66.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.39 -47.22 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.23 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.65 -50.05 73.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.816 HD13 HD13 ' A' ' 29' ' ' LEU . 2.2 pp -62.18 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.09 -24.66 55.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.45 -42.91 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.631 HG22 ' HB3' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.15 -36.6 73.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -84.46 -52.65 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.494 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -61.64 -66.47 2.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.72 62.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.445 ' HA ' HD22 ' A' ' 128' ' ' LEU . 0.3 OUTLIER -95.99 127.12 41.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.512 0.196 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.1 -31.34 6.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.485 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -145.91 107.92 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.19 -36.25 65.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.502 ' C ' ' N ' ' A' ' 7' ' ' ILE . 17.6 mt-10 -93.81 -46.32 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' CA ' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 42.84 23.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.755 HG23 ' HG2' ' A' ' 32' ' ' LYS . 3.4 tp -124.95 92.73 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.674 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.64 141.09 52.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.825 HG21 ' HB2' ' A' ' 31' ' ' PHE . 4.7 t -103.41 128.89 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.088 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.23 117.38 33.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.905 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.2 pp -135.15 110.41 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 37' ' ' ALA . 13.8 p -133.56 130.62 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.854 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.9 m-20 -138.99 143.97 38.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.535 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.3 t70 -56.46 -34.51 66.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.16 141.65 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.56 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.8 t -70.02 -41.25 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.401 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -56.73 -36.35 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.482 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.11 -57.58 4.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.956 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.56 ' CG ' ' HA ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -61.96 -30.23 70.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 3.6 tt -71.55 -43.71 65.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 17' ' ' THR . 19.4 mt -63.32 -56.82 13.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.854 HD21 ' CG ' ' A' ' 13' ' ' ASP . 1.7 pp -58.24 -49.08 78.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -63.84 -30.54 78.01 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 6.9 t70 -74.41 -46.92 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.77 81.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.21 -25.47 61.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.581 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -60.63 -50.29 74.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.51 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -61.76 -13.0 19.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -96.39 -14.56 22.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.98 34.31 81.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.185 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.04 -103.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 0.795 . . . . 0.0 111.019 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.755 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -162.92 -54.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.574 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.07 124.69 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.185 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.97 112.57 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.7 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -122.36 117.38 25.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 110.387 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.06 139.67 53.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.769 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.61 130.03 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.69 -89.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.555 1.159 . . . . 0.0 111.051 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.02 -171.87 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.18 -43.77 3.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 13.7 mt-10 -67.87 -55.6 12.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 0.792 . . . . 0.0 110.248 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.813 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -59.65 -42.76 93.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.708 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.23 -24.27 76.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.584 ' CE ' ' HB1' ' A' ' 72' ' ' ALA . 6.7 tpt -68.71 -49.97 54.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.81 -40.66 75.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.75 -33.15 61.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.862 ' SD ' HG22 ' A' ' 55' ' ' VAL . 33.2 ttp -77.94 -46.49 21.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.73 91.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.7 mm-40 -50.71 -19.97 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.646 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.05 -173.93 0.38 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.646 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.12 150.39 37.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.685 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 56.1 p-80 -168.64 155.01 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.585 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.682 ' CB ' HD12 ' A' ' 7' ' ' ILE . 65.0 t60 -146.41 12.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.589 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.608 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -154.62 134.41 12.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.088 HG13 ' CD1' ' A' ' 10' ' ' LEU . 23.2 t -132.38 96.18 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.795 HD11 HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -116.08 136.09 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 t -143.86 170.88 15.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -96.99 -173.16 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -115.68 17.36 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.535 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -59.23 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.683 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 6.5 mtt -156.67 48.1 0.32 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.683 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.96 138.01 22.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.481 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 27.9 mmtt -75.95 -21.16 57.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.478 ' HE2' ' HB2' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -134.57 80.8 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.581 1.176 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 68' ' ' GLY . 29.4 t0 -77.32 176.2 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.961 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -31.72 -61.91 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.3 mt -57.12 -45.04 83.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -56.52 -41.69 89.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.961 HD12 ' HA2' ' A' ' 66' ' ' GLY . 1.2 mt -63.1 -41.26 99.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.082 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -59.17 -44.88 92.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.719 ' N ' HD13 ' A' ' 70' ' ' LEU . 80.4 mt-30 -59.47 -34.18 72.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.584 ' HB1' ' CE ' ' A' ' 44' ' ' MET . . . -68.42 -45.38 72.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.082 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.5 m -55.85 -36.57 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -20.67 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.28 -21.5 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -130.16 110.92 16.81 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.664 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.02 -5.0 16.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.29 -30.81 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.964 HG23 HG12 ' A' ' 73' ' ' VAL . 13.9 t -104.39 8.32 35.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.664 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -63.26 -22.8 67.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.02 8.2 41.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -92.19 122.43 34.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.633 ' HB3' HG22 ' A' ' 124' ' ' VAL . . . -90.21 121.63 32.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.817 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.95 150.6 21.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 111.021 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.564 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -122.41 134.79 64.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.1 . . . . 0.0 109.368 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -131.16 113.59 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.026 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.07 129.32 42.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.608 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -151.51 161.4 42.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.434 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.7 38.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.18 -58.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.17 71.33 0.5 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.562 1.164 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -125.86 119.18 27.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.42 -24.97 33.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.56 81.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.57 -35.29 78.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.724 HG13 HG13 ' A' ' 107' ' ' VAL . 59.2 t -61.36 -47.73 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.3 -30.77 65.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -59.96 -55.71 30.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.35 -48.47 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.27 -28.05 25.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.571 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.96 -22.57 17.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.855 HD13 ' O ' ' A' ' 102' ' ' LEU . 3.4 tm? -66.18 -21.18 66.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 148.25 -25.01 1.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.581 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -48.72 152.85 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 20.3 t30 -86.99 -39.78 15.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -171.64 126.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.724 HG13 HG13 ' A' ' 96' ' ' VAL . 13.4 p -128.16 112.12 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 1.8 mt -131.94 153.22 50.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.617 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -104.21 147.38 27.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.434 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -77.17 108.13 6.25 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.617 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.5 Cg_endo -74.94 158.22 42.56 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.06 -4.39 52.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.6 m -111.39 143.72 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.406 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 2.9 pt -71.42 -24.77 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.07 -43.59 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -39.3 57.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.604 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 10.8 tmm? -71.92 -37.92 69.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 4.1 tttt -72.36 -32.94 66.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.87 -45.4 28.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.88 75.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.586 ' O ' HG12 ' A' ' 124' ' ' VAL . 2.1 pp -60.59 -44.71 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -55.11 -32.08 61.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.23 -42.61 18.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 109.354 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.633 HG22 ' HB3' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.7 -30.58 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -82.23 -64.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -56.11 -61.21 7.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.04 66.36 0.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -94.42 127.11 40.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.49 0.186 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.467 ' O ' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -140.6 -44.24 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -148.19 110.26 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.2 -35.69 69.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' C ' ' N ' ' A' ' 7' ' ' ILE . 21.4 mt-10 -95.7 -46.86 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.235 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 44.35 21.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.734 HD12 ' CB ' ' A' ' 53' ' ' HIS . 3.6 tp -125.69 93.83 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.71 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -123.63 142.08 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.843 HG21 ' HB2' ' A' ' 31' ' ' PHE . 6.1 t -104.13 127.75 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.208 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.103 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.07 117.12 32.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.897 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.3 pp -135.62 110.29 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.855 HG21 ' O ' ' A' ' 37' ' ' ALA . 9.2 p -132.07 130.5 61.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.912 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.4 m-20 -139.27 143.71 38.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.553 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 6.2 t0 -54.16 -48.36 70.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -89.55 143.95 26.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' LEU . 2.9 t -70.62 -42.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -35.91 72.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.479 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 1.4 m -71.14 -57.36 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.094 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.91 -28.84 70.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.99 -44.17 63.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.22 -57.25 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.912 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.8 OUTLIER -56.84 -49.44 75.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -63.13 -30.43 77.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' LEU . 9.3 t70 -74.97 -47.46 29.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.786 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.22 83.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.028 HD13 HD23 ' A' ' 29' ' ' LEU . 2.3 mm? -71.47 -26.39 62.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.572 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -60.72 -50.2 74.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 110.228 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.505 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -62.13 -12.72 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.352 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.028 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -96.88 -14.43 21.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.622 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.54 34.35 83.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.175 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.24 -103.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 0.731 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.729 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -163.35 -53.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.583 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.6 124.41 4.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.175 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.32 112.77 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.705 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.55 116.77 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.37 140.62 52.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.377 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.855 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.28 130.91 14.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.08 -90.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -145.93 -171.89 3.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.59 -44.38 3.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 11.6 mt-10 -66.94 -55.66 13.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.894 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -60.29 -44.89 94.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.771 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.96 -26.07 74.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.496 ' SD ' ' CB ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -68.49 -52.39 32.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.773 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -67.99 -32.88 73.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.894 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -71.88 -34.42 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.645 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -78.06 -46.65 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.412 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -63.13 -42.16 99.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 24.9 mm-40 -54.37 -19.41 5.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.633 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.06 -174.69 0.42 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.07 152.44 40.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.645 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 15.7 p-80 -171.92 158.15 4.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 109.552 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.734 ' CB ' HD12 ' A' ' 7' ' ' ILE . 39.4 t-80 -146.76 13.99 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.612 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.604 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -155.98 133.94 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.103 HG13 ' CD1' ' A' ' 10' ' ' LEU . 22.5 t -132.39 94.64 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.675 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -114.23 138.08 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 4.5 t -144.29 170.99 14.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -97.15 -172.38 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -117.76 17.15 14.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.553 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -59.96 -80.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.689 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 5.6 mtt -156.44 47.98 0.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.689 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -74.99 136.83 20.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 15.8 mmtt -76.31 -20.11 57.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.376 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -134.31 81.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLY . 24.2 t0 -76.49 173.14 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.586 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -33.04 -58.49 0.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.2 mt -58.04 -45.29 87.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.97 -43.5 87.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.016 HD22 HG11 ' A' ' 55' ' ' VAL . 1.5 mt -64.5 -39.34 93.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.063 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -60.47 -48.84 80.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -57.23 -35.97 70.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.496 ' CB ' ' SD ' ' A' ' 44' ' ' MET . . . -67.16 -46.09 75.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.063 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -56.06 -36.4 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.226 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.423 ' CZ ' ' O ' ' A' ' 102' ' ' LEU . 7.8 mtt180 -60.71 -20.77 61.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.25 -21.94 14.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -129.6 112.74 17.81 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.514 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -74.99 -5.49 16.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.549 1.815 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.32 -34.75 65.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 1.009 HG23 HG12 ' A' ' 73' ' ' VAL . 13.3 t -101.48 6.12 42.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.347 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -74.49 -8.81 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.85 7.8 30.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.62 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.49 127.79 49.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.567 ' HB3' HG22 ' A' ' 124' ' ' VAL . . . -89.41 120.69 30.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.811 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.17 148.59 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.675 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -120.72 136.09 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -133.82 111.66 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.019 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.56 129.94 42.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.574 ' N ' HD22 ' A' ' 87' ' ' LEU . 3.8 t -151.88 161.82 42.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 110.464 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.4 39.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -126.04 -60.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.86 74.65 0.2 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -126.72 120.9 30.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.347 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -26.13 39.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.96 83.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.77 -35.75 79.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.647 HG13 HG13 ' A' ' 107' ' ' VAL . 58.8 t -61.12 -47.54 93.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 2.8 tt0 -72.03 -30.75 65.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.249 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -62.07 -55.08 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.39 -48.46 33.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.275 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.8 -27.82 31.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.3 -21.39 17.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.903 HD13 ' O ' ' A' ' 102' ' ' LEU . 3.2 tm? -66.82 -22.22 66.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.56 -17.57 2.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.9 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -53.89 144.45 18.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 14.8 t30 -81.18 -35.87 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.525 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.4 m-20 -171.85 126.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.647 HG13 HG13 ' A' ' 96' ' ' VAL . 14.3 p -128.22 112.05 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -134.68 140.35 45.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.616 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -86.39 149.51 24.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.552 ' CG ' ' O ' ' A' ' 110' ' ' LYS . 0.7 OUTLIER -74.56 108.26 4.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.616 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.3 Cg_endo -74.96 158.25 42.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.38 -4.04 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.5 m -114.94 146.78 40.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.6 pt -68.52 -24.48 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.09 -44.26 80.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.44 ' HB3' ' CB ' ' A' ' 111' ' ' PRO . 41.6 mttm -75.85 -39.45 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.529 ' O ' ' CG1' ' A' ' 121' ' ' ILE . 12.8 tmm? -70.97 -39.2 72.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 2.8 tttt -71.42 -32.32 68.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.05 -47.01 21.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.94 78.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.37 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.693 HG21 ' CD2' ' A' ' 29' ' ' LEU . 2.3 pp -62.77 -45.78 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -56.71 -26.04 55.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.351 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.14 -42.96 11.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.567 HG22 ' HB3' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.58 -33.83 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -84.65 -54.1 4.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -61.77 -65.36 3.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.1 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.498 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.61 67.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 0.721 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -93.83 127.06 39.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 mtp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.512 0.196 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.35 -16.18 9.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.518 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -144.48 106.0 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.9 -35.06 63.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.397 1.061 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.894 ' HB3' HG22 ' A' ' 7' ' ' ILE . 6.8 mt-10 -92.46 -42.94 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.534 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER 39.04 30.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.894 HG22 ' HB3' ' A' ' 5' ' ' GLU . 2.6 tp -109.64 90.41 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.97 143.9 49.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.857 HG21 ' HB2' ' A' ' 31' ' ' PHE . 11.4 t -102.52 125.43 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.091 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.09 116.06 31.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.864 ' N ' HD22 ' A' ' 10' ' ' LEU . 5.4 pt -136.08 110.32 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.832 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.3 p -131.34 132.5 62.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.865 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.7 m-20 -139.41 143.7 37.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.518 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -55.13 -50.7 68.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -85.69 142.94 28.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.55 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 t -69.65 -40.97 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.407 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -56.62 -34.78 67.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.399 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.498 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -73.42 -57.82 3.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.645 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -61.42 -30.69 70.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -71.33 -44.16 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 17' ' ' THR . 17.9 mt -59.95 -57.4 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.865 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.75 -49.79 72.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.55 -29.92 75.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' LEU . 29.8 t0 -76.72 -48.63 18.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.1 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.054 HD13 HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -71.32 -27.29 63.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.564 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 1.7 mm-40 -60.25 -47.77 84.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.275 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -13.1 62.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.054 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -92.68 -11.87 32.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.589 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 64.21 27.56 71.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.013 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.199 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -18.67 -99.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -161.04 -56.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.625 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.54 128.44 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.199 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -92.17 111.32 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.628 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -125.16 114.58 19.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -126.28 142.54 51.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.832 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.5 130.72 13.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.97 -89.28 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -146.26 -172.11 3.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.5 -44.58 3.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.489 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 12.0 mt-10 -67.64 -55.49 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.853 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.41 -42.74 92.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.762 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.98 -24.41 76.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.483 ' HG2' ' CE ' ' A' ' 64' ' ' MET . 2.9 tpt -68.69 -47.78 65.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -70.61 -38.84 74.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.853 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -67.53 -34.07 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.687 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -78.96 -45.21 20.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.445 1.091 . . . . 0.0 110.959 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.14 95.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 2.7 mm100 -52.76 -19.79 2.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.25 -175.24 0.46 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -74.98 150.86 38.9 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.687 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 45.6 p-80 -165.49 156.61 14.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.626 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.798 ' CB ' HD12 ' A' ' 7' ' ' ILE . 44.0 t-80 -146.95 13.62 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.659 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -157.05 133.96 10.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.091 HG13 ' CD1' ' A' ' 10' ' ' LEU . 40.0 t -133.99 95.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.815 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.65 136.4 51.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -143.62 170.89 14.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.03 -173.8 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -114.17 17.79 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.518 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -59.17 -81.9 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.681 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 2.2 mtm -157.47 48.77 0.33 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.06 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.681 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.01 138.88 23.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.431 1.753 . . . . 0.0 110.962 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.489 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 42.4 mmtt -77.02 -20.25 56.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.231 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.535 ' CE ' ' HB2' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -137.65 85.84 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 111.055 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.626 ' OD1' HD13 ' A' ' 86' ' ' ILE . 28.8 t0 -78.39 175.57 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.83 -59.77 0.69 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.5 mt -56.55 -44.33 80.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -53.21 -42.72 63.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.983 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -64.49 -41.93 96.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 109.268 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.057 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.25 -45.43 83.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.738 ' N ' HD13 ' A' ' 70' ' ' LEU . 4.5 mt-30 -61.33 -35.64 77.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.37 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.535 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -68.92 -44.56 72.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.081 HG12 HG23 ' A' ' 79' ' ' THR . 2.0 m -55.75 -36.66 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -60.16 -19.16 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.339 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.8 -20.79 13.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.624 1.203 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -133.06 112.87 13.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.372 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.586 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.04 -4.93 16.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.557 1.82 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.88 66.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 1.081 HG23 HG12 ' A' ' 73' ' ' VAL . 13.4 t -106.16 7.66 31.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.586 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.9 -12.52 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 7.77 29.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.557 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.81 125.5 44.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.558 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.78 121.03 31.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.8 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.44 149.6 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.99 HD11 HD12 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -121.25 136.22 58.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.626 HD13 ' OD1' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -133.46 112.67 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.344 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.019 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.82 130.02 41.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.643 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -150.9 161.27 43.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.391 1.057 . . . . 0.0 110.405 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.62 38.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.16 -59.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 46.46 74.86 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -126.77 118.21 24.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -26.3 39.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.31 82.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -36.14 82.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.354 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 53.0 t -61.43 -47.26 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.0 OUTLIER -71.9 -31.53 66.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -61.08 -54.96 38.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.71 -48.08 34.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.613 1.195 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.27 -28.2 40.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -95.64 -21.63 18.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 12.5 tp -66.96 -22.17 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 146.13 -21.59 1.75 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.44 143.18 5.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 31.9 t30 -76.52 -38.81 54.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.474 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.0 m-20 -172.62 125.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.7 OUTLIER -122.05 112.75 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.99 HD12 HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -126.58 150.61 48.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.253 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.617 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -91.61 155.43 18.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.473 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 5.9 ttpt -109.71 84.74 3.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.617 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.2 Cg_endo -74.97 156.52 43.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -12.27 61.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.12 141.02 29.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 3.5 pt -73.84 -26.67 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.45 -47.65 78.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.406 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . 1.4 mttt -76.36 -44.71 35.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.212 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.489 ' HE3' HD21 ' A' ' 26' ' ' LEU . 8.8 tpt -62.53 -42.59 99.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -69.85 -30.92 68.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.27 -46.9 63.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.91 -51.98 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.653 HD12 ' N ' ' A' ' 122' ' ' GLU . 2.8 pp -62.09 -45.42 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.653 ' N ' HD12 ' A' ' 121' ' ' ILE . 0.6 OUTLIER -56.42 -25.6 50.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 127' ' ' ALA . . . -88.48 -41.57 12.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.621 HG23 HD11 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -61.65 -32.23 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -92.89 -53.29 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.477 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -62.87 -60.62 7.42 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.54 1.15 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.45 61.59 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -95.74 127.05 41.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' SER . 63.7 mtp . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.481 0.181 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -37.13 -35.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.555 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -144.58 106.77 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.33 -34.86 61.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.699 ' HB3' HG22 ' A' ' 7' ' ' ILE . 10.2 mt-10 -91.88 -44.01 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER 38.65 30.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.847 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.6 tp -118.25 91.33 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.71 141.86 50.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.789 HG21 ' HB2' ' A' ' 31' ' ' PHE . 9.9 t -101.42 125.94 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.11 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.76 116.67 32.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.885 ' N ' HD22 ' A' ' 10' ' ' LEU . 9.7 pt -136.6 110.15 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 37' ' ' ALA . 12.5 p -132.55 130.1 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.813 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -138.62 141.4 39.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.553 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 6.6 t0 -50.85 -50.84 55.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.66 143.32 27.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' LEU . 2.6 t -70.06 -42.95 79.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -57.16 -34.97 68.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.495 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.2 m -72.18 -57.2 4.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.398 1.061 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.555 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.99 -28.69 69.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -73.11 -43.44 61.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 17' ' ' THR . 17.1 mt -61.13 -57.29 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.982 HD13 HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -56.17 -49.51 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.49 ' HA2' ' CD1' ' A' ' 11' ' ' ILE . . . -63.51 -30.34 77.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.118 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 63.5 t0 -74.8 -48.04 27.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -45.8 81.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.77 -25.87 62.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.562 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.27 -50.46 73.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.511 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -62.11 -12.57 20.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.805 HD22 HD13 ' A' ' 121' ' ' ILE . 0.1 OUTLIER -97.99 -14.62 20.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.61 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.64 34.7 84.41 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.221 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.97 -103.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.532 ' HG2' HG23 ' A' ' 7' ' ' ILE . 15.9 tptt -162.29 -55.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.593 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.1 125.37 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.221 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.2 pt -94.96 111.83 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.639 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -122.87 116.27 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.58 140.78 52.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.769 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.87 129.53 13.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 35.09 -88.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.93 -171.67 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.31 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -42.28 -39.44 3.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.418 1.074 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 2.0 tt0 -69.5 -58.02 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.872 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.57 -43.04 93.72 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.645 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.59 -25.3 75.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 7.2 tpt -68.64 -48.36 64.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -71.62 -39.46 70.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.872 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -64.93 -34.45 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.688 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -79.14 -45.06 20.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 111.0 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.426 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.92 -41.62 95.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 6.2 mm-40 -54.48 -19.4 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.632 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.69 -175.2 0.46 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.06 149.18 36.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.688 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 46.9 p-80 -164.99 158.33 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.621 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.847 ' CB ' HD12 ' A' ' 7' ' ' ILE . 58.3 t-80 -146.19 14.24 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.564 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.695 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -157.85 133.76 9.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.11 HG13 ' CD1' ' A' ' 10' ' ' LEU . 23.0 t -133.74 94.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.982 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.1 138.75 42.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -144.6 169.89 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.474 ' HB2' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -96.97 -172.47 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -117.71 17.11 14.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.553 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -60.6 -80.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.696 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 3.1 mtp -156.47 47.28 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.696 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -75.11 137.06 20.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . 3.6 mmtp -76.95 -19.88 56.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.438 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -134.24 80.12 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 68' ' ' GLY . 26.3 t0 -76.85 173.96 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.475 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -32.24 -60.03 0.37 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.4 mt -58.12 -46.69 85.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -52.96 -45.88 61.42 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.976 HD22 ' CG1' ' A' ' 55' ' ' VAL . 1.3 mt -63.24 -39.03 93.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.083 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -61.19 -48.76 80.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.373 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -56.6 -35.2 67.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.63 74.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.083 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.3 m -56.39 -36.4 46.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.599 ' NH2' HD21 ' A' ' 102' ' ' LEU . 10.4 mtm180 -61.0 -17.31 51.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.7 -21.87 13.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.481 ' ND2' ' HB3' ' A' ' 78' ' ' ALA . 8.8 t30 -133.24 113.47 13.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.575 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.6 Cg_endo -74.97 -5.74 17.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.481 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . . . -69.61 -26.6 64.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 1.03 HG23 HG12 ' A' ' 73' ' ' VAL . 10.5 t -111.08 6.14 20.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.475 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.575 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.96 -12.33 60.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 7.76 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.606 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -102.38 127.74 49.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.62 121.73 32.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.8 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.31 149.17 22.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 111.003 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -120.53 135.96 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -133.58 111.55 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.006 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.09 130.81 41.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.584 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -151.01 161.62 42.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.08 38.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.484 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.06 -58.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.377 1.048 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.9 71.4 0.57 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 96' ' ' VAL . 1.2 m-20 -125.73 114.24 18.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -25.16 35.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.71 80.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -35.83 78.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 107' ' ' VAL . 60.3 t -61.08 -47.7 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -72.02 -31.28 66.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.36 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 5.6 ttmm -61.11 -55.28 34.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.55 -49.02 28.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.843 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -53.13 -28.02 23.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.0 -21.42 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.599 HD21 ' NH2' ' A' ' 74' ' ' ARG . 10.5 tt -67.21 -22.21 65.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.84 -21.69 0.7 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.881 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -54.7 143.36 25.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 80' ' ' LYS . 22.7 t30 -80.53 -36.11 33.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.535 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -171.86 126.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.681 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -126.19 112.25 29.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 2.9 mt -130.31 151.02 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.676 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -109.72 147.46 33.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.434 ' CE ' ' HB3' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -78.84 106.95 4.98 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 109.362 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.676 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.3 Cg_endo -75.12 158.24 41.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.963 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -73.12 -2.42 21.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.5 m -116.26 143.07 46.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 110.399 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.526 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 2.5 pt -72.05 -25.24 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -65.09 -42.92 93.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.463 ' HB2' ' CG ' ' A' ' 111' ' ' PRO . 1.3 mtpp -74.54 -44.41 51.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.608 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 3.9 tpp -67.34 -38.87 85.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 4.6 tttm -70.83 -32.35 69.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.33 -46.74 31.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.76 72.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.805 HD13 HD22 ' A' ' 29' ' ' LEU . 2.0 pp -61.26 -45.84 97.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -56.29 -27.05 54.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.76 -40.95 14.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 121' ' ' ILE . 0.3 OUTLIER -62.45 -30.56 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -87.72 -61.06 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -58.4 -58.12 16.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.75 65.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.753 . . . . 0.0 109.329 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -93.96 126.96 39.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.229 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtp . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.477 0.18 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.18 -41.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.031 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.46 ' HG ' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -146.65 108.49 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.54 -36.23 64.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.495 ' C ' ' N ' ' A' ' 7' ' ' ILE . 10.7 mt-10 -92.85 -45.81 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.87 26.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.646 HG23 ' HG2' ' A' ' 32' ' ' LYS . 2.6 tp -123.37 91.36 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.67 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -125.02 138.11 54.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.577 1.173 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.803 HG21 ' HB2' ' A' ' 31' ' ' PHE . 8.3 t -102.09 127.7 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.111 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.34 117.03 32.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.199 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.892 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.5 pp -134.7 109.65 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.781 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.4 p -133.26 129.21 56.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.821 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.6 m-20 -139.18 143.41 38.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.067 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.47 ' HB2' ' CB ' ' A' ' 60' ' ' ASN . 3.2 t70 -53.98 -50.32 66.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.12 142.55 28.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 3.3 t -70.32 -43.05 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.413 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -57.07 -36.24 70.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 110.353 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.469 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.3 m -72.39 -57.21 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.605 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.76 -29.21 70.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -72.54 -44.3 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 17' ' ' THR . 14.3 mt -58.55 -57.01 14.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.955 HD13 HD11 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -55.36 -49.94 70.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.06 -29.34 74.07 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 15.0 t70 -77.03 -47.85 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.835 ' HB1' ' SD ' ' A' ' 117' ' ' MET . . . -59.19 -48.28 82.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.382 1.051 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.983 HD13 HD23 ' A' ' 29' ' ' LEU . 2.3 mm? -71.22 -26.89 63.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.591 1.182 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.61 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.2 mm-40 -61.17 -48.86 79.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.54 -12.65 34.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.983 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -95.67 -13.41 24.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.623 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 68.31 33.72 78.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.177 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.73 -103.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.991 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.646 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -163.85 -53.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.6 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.55 124.41 5.03 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.177 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -96.3 112.44 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.687 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.98 116.31 22.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.36 140.64 52.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.781 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.9 129.81 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.63 -88.97 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -148.9 -172.74 4.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 0.801 . . . . 0.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.6 -43.49 2.24 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 4.1 mt-10 -65.67 -56.93 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 0.725 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.8 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -61.0 -43.87 98.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.226 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.583 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.48 -25.9 74.61 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -48.93 55.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 0.81 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -70.43 -41.73 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -66.8 -32.29 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.837 ' SD ' HG22 ' A' ' 55' ' ' VAL . 32.3 ttp -79.37 -46.45 17.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.2 93.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.3 mm100 -52.13 -19.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.637 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.48 -174.56 0.41 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.637 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.09 149.6 36.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.692 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 49.7 p-80 -166.18 155.76 11.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.597 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.67 ' N ' ' O ' ' A' ' 8' ' ' LYS . 9.1 t60 -147.45 12.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.537 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.62 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.31 135.82 12.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.111 HG13 ' CD1' ' A' ' 10' ' ' LEU . 26.2 t -133.68 97.14 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.955 HD11 HD13 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -115.46 133.46 61.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.472 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.0 t -142.71 170.16 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.428 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -97.23 -174.3 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -113.2 17.59 18.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -58.55 -81.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.676 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 16.9 ptm -159.24 48.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.676 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.2 Cg_endo -75.02 137.58 21.85 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.434 1.755 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 37.9 mmtt -76.81 -19.71 57.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.483 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.9 OUTLIER -135.49 83.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.0 t70 -78.37 172.9 12.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.502 ' HA3' HG23 ' A' ' 86' ' ' ILE . . . -35.54 -57.9 0.92 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.5 mt -57.25 -43.83 83.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 0.741 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.73 -40.82 72.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.032 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -64.93 -42.14 94.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.02 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -56.81 -44.59 82.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.738 ' N ' HD13 ' A' ' 70' ' ' LEU . 9.8 mt-30 -62.82 -35.58 80.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.22 -44.94 71.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.086 HG12 HG23 ' A' ' 79' ' ' THR . 1.8 m -55.86 -36.87 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.077 . . . . 0.0 109.236 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -59.93 -18.49 45.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.51 -21.71 13.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 78' ' ' ALA . 8.0 t30 -133.7 113.38 12.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.586 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -74.99 -5.57 16.96 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.442 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . . . -69.64 -25.21 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 1.086 HG23 HG12 ' A' ' 73' ' ' VAL . 11.7 t -113.9 6.44 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.586 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -70.57 -13.34 62.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 8.14 30.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -97.99 124.99 42.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.634 ' HB1' ' HB3' ' A' ' 106' ' ' ASN . . . -89.62 121.16 31.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.797 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.57 148.65 23.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.641 HG13 ' CB ' ' A' ' 108' ' ' LEU . 0.2 OUTLIER -119.1 137.32 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.549 HD11 HG21 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -132.69 113.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.02 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.59 128.74 41.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.558 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -152.83 161.98 41.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.148 . . . . 0.0 110.374 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.49 38.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.469 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -125.37 -59.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 43.18 74.04 0.21 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.9 124.53 39.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -55.13 -26.84 41.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.61 80.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -35.56 81.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.036 HG13 HG13 ' A' ' 107' ' ' VAL . 62.0 t -60.75 -47.84 91.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.565 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.27 -29.73 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 24.4 ttmt -61.11 -56.38 21.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.58 -47.92 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.52 -28.04 29.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -94.88 -22.9 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -65.75 -21.64 66.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.56 -20.13 2.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.458 ' N ' HD23 ' A' ' 70' ' ' LEU . . . -45.6 140.95 3.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 12.7 t30 -70.7 -42.79 70.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.634 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.5 t-20 -171.79 126.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 1.036 HG13 HG13 ' A' ' 96' ' ' VAL . 9.9 p -113.94 116.21 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.925 HD21 ' O ' ' A' ' 120' ' ' ALA . 0.8 OUTLIER -115.97 156.42 26.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.655 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -108.77 160.01 16.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.23 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.568 ' CD ' ' CG2' ' A' ' 85' ' ' ILE . 23.1 mtpt -109.51 79.75 1.39 Allowed Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.655 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.2 Cg_endo -75.0 157.45 42.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -80.61 -6.51 58.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.11 142.93 31.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.0 pt -71.67 -26.21 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.45 -44.66 86.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.472 ' HB2' ' CG ' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -74.8 -45.2 45.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.835 ' SD ' ' HB1' ' A' ' 25' ' ' ALA . 1.9 ttt -64.95 -41.13 95.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 11.9 ttpt -69.05 -31.56 70.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.58 -44.54 57.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.925 ' O ' HD21 ' A' ' 108' ' ' LEU . . . -56.88 -53.65 55.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.698 HG21 HD22 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -56.97 -43.93 81.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.68 -28.09 60.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.347 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.17 -45.6 13.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.607 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -56.59 -35.97 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -82.94 -49.85 9.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -63.28 -71.42 0.84 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.565 1.166 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.68 60.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 0.805 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -94.16 127.24 39.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.37 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.521 0.2 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.79 -45.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.499 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -141.73 118.09 10.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.7 -41.32 70.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.495 ' C ' ' N ' ' A' ' 7' ' ' ILE . 10.1 mt-10 -90.63 -46.48 8.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.163 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 41.79 24.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.596 HG23 ' HG2' ' A' ' 32' ' ' LYS . 2.6 tp -123.49 91.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -125.08 139.97 53.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.763 HG21 ' HB2' ' A' ' 31' ' ' PHE . 9.1 t -105.2 127.63 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.119 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.95 117.46 33.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.908 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.7 pp -135.44 110.17 11.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.3 p -132.43 129.69 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.852 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.8 m-20 -139.33 144.02 38.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.54 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.7 t70 -55.28 -51.12 67.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.376 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.74 142.83 28.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.349 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.6 t -69.76 -42.11 80.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.411 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -58.1 -35.18 71.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.422 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.478 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.69 -56.99 4.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.615 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.61 -29.39 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.409 1.068 . . . . 0.0 110.261 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.7 tt -72.05 -43.62 64.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 17' ' ' THR . 15.2 mt -59.73 -56.96 15.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.975 HD13 HD11 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -55.87 -50.41 70.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.233 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -62.14 -30.97 77.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 12.5 t70 -75.79 -48.11 23.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB1' ' SD ' ' A' ' 117' ' ' MET . . . -57.0 -45.72 82.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mp -71.39 -26.59 62.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -59.71 -51.0 71.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.52 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -63.0 -12.44 25.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.757 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -98.05 -14.92 20.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.629 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.31 35.98 88.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.178 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.26 -104.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 110.966 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.596 ' HG2' HG23 ' A' ' 7' ' ' ILE . 9.7 tptt -164.3 -53.94 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.634 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 47.1 tp60 -156.42 122.7 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.178 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -95.32 112.55 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.688 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -124.67 116.75 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.09 141.24 52.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.849 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.34 130.83 14.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.74 -91.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.02 -172.12 3.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.46 -44.54 2.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 9.4 mt-10 -66.39 -56.11 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.87 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.73 -46.4 90.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.753 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -67.18 -25.65 73.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.497 ' SD ' ' CB ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -69.33 -51.82 33.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HG3' HD12 ' A' ' 46' ' ' ILE . 2.5 pttt -69.74 -30.45 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.87 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -72.9 -36.91 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.652 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -76.43 -46.63 26.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.415 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.37 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.237 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 5.4 mm-40 -52.04 -20.0 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.634 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.61 -174.83 0.43 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.1 Cg_endo -75.1 152.82 40.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.569 1.826 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.652 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 19.0 p-80 -170.82 157.82 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.652 ' N ' ' O ' ' A' ' 8' ' ' LYS . 50.8 t-80 -146.08 14.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.647 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.636 HD21 HG11 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -156.16 133.0 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.119 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.9 t -132.35 94.85 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.975 HD11 HD13 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -113.56 137.52 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.524 ' N ' HD12 ' A' ' 56' ' ' ILE . 3.7 t -144.27 170.85 15.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -99.14 -173.77 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -116.39 16.65 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.54 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -57.92 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.067 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.667 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 3.9 ptm -158.72 49.68 0.34 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -74.95 138.5 23.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 18.9 mmtt -76.02 -20.23 57.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.498 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 2.5 tpt -136.23 84.66 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.4 t70 -76.25 172.99 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -34.75 -56.77 0.79 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.418 1.074 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.5 mt -56.87 -44.94 82.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -58.15 -39.79 92.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.054 HD12 HG11 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -65.3 -45.03 85.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.067 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.11 -43.38 87.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.727 ' N ' HD13 ' A' ' 70' ' ' LEU . 3.2 mt-30 -59.87 -36.0 75.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' CB ' ' SD ' ' A' ' 44' ' ' MET . . . -68.54 -45.31 72.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.067 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.1 m -55.58 -36.41 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -59.62 -20.3 54.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.1 -23.32 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 78' ' ' ALA . 11.5 t30 -132.42 113.43 14.36 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.534 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.5 Cg_endo -74.96 -6.01 17.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.552 1.817 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . . . -70.54 -30.8 67.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 1.052 HG23 HG12 ' A' ' 73' ' ' VAL . 15.0 t -105.78 6.93 32.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.534 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -77.32 -7.0 55.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.362 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.1 9.02 30.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.551 ' CB ' ' NE2' ' A' ' 52' ' ' HIS . . . -104.68 128.08 52.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.663 ' HB3' HG22 ' A' ' 124' ' ' VAL . . . -89.28 122.29 32.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.795 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.86 148.47 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.576 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.79 135.66 60.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.943 HD11 ' CG2' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -135.18 112.84 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.012 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -96.42 130.22 43.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.6 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -151.64 161.48 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.88 38.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.474 ' H ' ' C ' ' A' ' 88' ' ' THR . 3.0 mp0 -124.66 -59.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.19 74.39 0.21 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.134 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -126.31 120.61 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -25.47 37.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.85 -48.66 80.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -35.76 80.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.749 HG13 HG13 ' A' ' 107' ' ' VAL . 60.9 t -61.39 -47.4 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.566 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 6.6 tt0 -72.02 -30.56 65.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 3.9 ttpp -62.38 -55.16 30.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.3 -48.54 33.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.72 -28.0 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -94.76 -22.43 18.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.901 HD13 ' O ' ' A' ' 102' ' ' LEU . 1.3 tm? -66.4 -21.48 66.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.93 -19.19 2.35 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -48.96 139.0 10.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 27.4 t30 -74.96 -38.37 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.584 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -171.76 125.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.943 ' CG2' HD11 ' A' ' 86' ' ' ILE . 9.8 p -125.14 112.52 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.653 HD11 HG23 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -128.64 138.06 51.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.653 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -99.06 150.38 22.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.414 ' HZ3' HD12 ' A' ' 87' ' ' LEU . 12.7 mtpt -74.3 107.25 3.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.679 ' HG2' ' N ' ' A' ' 117' ' ' MET . 18.4 Cg_endo -74.96 158.72 42.19 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -80.05 -3.55 49.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.5 m -116.62 144.27 44.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.52 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 2.7 pt -71.19 -24.67 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.367 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -44.33 79.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -75.84 -37.34 59.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.679 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 0.4 OUTLIER -73.09 -38.64 66.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 37.2 tttm -71.61 -33.13 68.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.31 -46.07 24.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.93 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.732 HD13 HD22 ' A' ' 29' ' ' LEU . 2.3 pp -61.02 -46.69 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.421 ' N ' HD12 ' A' ' 121' ' ' ILE . 6.7 mt-10 -57.16 -26.46 60.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.29 -40.56 15.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.663 HG22 ' HB3' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -61.41 -30.71 48.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -86.05 -53.04 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.495 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -63.6 -66.13 2.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.495 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.07 67.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -89.61 126.97 35.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.2 mtp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.529 0.204 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.5 -33.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -145.47 117.51 8.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.08 -39.66 69.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 7' ' ' ILE . 17.6 mt-10 -90.35 -45.3 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.15 27.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.833 HD12 ' CB ' ' A' ' 53' ' ' HIS . 4.0 tp -121.4 91.34 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.77 141.36 51.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.29 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.817 HG21 ' HB2' ' A' ' 31' ' ' PHE . 11.9 t -101.83 127.36 55.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.107 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -109.82 117.18 33.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.899 ' N ' HD22 ' A' ' 10' ' ' LEU . 9.2 pt -136.37 110.95 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.809 HG21 ' O ' ' A' ' 37' ' ' ALA . 11.0 p -132.94 130.99 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.839 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.2 m-20 -139.37 144.21 38.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.484 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 1.3 t70 -54.36 -48.1 71.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.14 141.52 28.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.255 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.546 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.5 t -68.82 -40.86 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -34.96 66.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.3 m -73.05 -57.67 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.01 -29.55 70.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 110.332 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -72.81 -44.52 61.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.39 -57.12 13.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.985 HD13 HD11 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -56.76 -50.01 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -62.34 -30.77 77.12 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.438 1.086 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 25.8 t0 -75.45 -47.89 25.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.601 0.824 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.88 83.12 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.67 -25.93 62.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.544 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -59.82 -50.85 72.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.512 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -61.76 -12.83 18.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 110.335 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -97.42 -14.66 21.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.61 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 66.92 35.18 89.14 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.207 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.32 -103.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.955 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -162.89 -54.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.611 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -157.95 125.33 5.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.207 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.33 111.47 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.648 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.33 116.54 23.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.72 140.35 52.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.809 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.62 130.85 14.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.77 -88.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -147.43 -172.01 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 0.793 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.21 -44.19 3.73 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.463 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 14.3 mt-10 -67.48 -55.01 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.515 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.76 -43.43 94.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.693 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.09 -23.96 77.2 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.594 1.184 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.436 ' HE3' ' HB2' ' A' ' 48' ' ' ALA . 7.9 tpt -68.2 -50.63 53.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -68.87 -42.08 77.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.515 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -65.18 -33.07 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.817 ' SD ' HG22 ' A' ' 55' ' ' VAL . 31.4 ttp -77.88 -46.5 21.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.09 -44.3 92.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.36 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -50.17 -20.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.639 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -134.75 -174.55 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -75.0 150.14 37.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.661 ' CD2' ' SD ' ' A' ' 47' ' ' MET . 55.0 p-80 -165.78 155.55 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.544 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.833 ' CB ' HD12 ' A' ' 7' ' ' ILE . 43.2 t-80 -146.5 13.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.612 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.653 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.36 134.69 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 0.0 109.343 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.107 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.4 t -133.73 94.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.985 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -113.4 137.43 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.464 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -144.48 170.61 15.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 110.046 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.32 -174.18 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -113.86 16.03 18.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -57.96 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.667 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -159.29 48.99 0.29 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.1 Cg_endo -75.04 138.96 23.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 40.8 mmtt -76.09 -19.74 58.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.455 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -135.74 78.88 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' GLY . 46.8 t0 -76.37 175.86 8.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.895 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -31.84 -62.16 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.5 mt -57.61 -45.61 85.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 0.736 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.64 -41.22 73.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.961 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -65.25 -41.8 93.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.072 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -59.59 -44.93 93.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.734 ' N ' HD13 ' A' ' 70' ' ' LEU . 4.7 mt-30 -60.59 -35.79 76.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.5 -45.12 73.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.072 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.1 m -55.91 -36.68 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -60.01 -19.14 51.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.9 -22.73 13.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -129.33 113.32 18.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.551 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.2 -35.21 66.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 1.01 HG23 HG12 ' A' ' 73' ' ' VAL . 15.3 t -102.16 6.46 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -73.35 -11.72 60.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -107.44 8.09 29.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -100.24 128.75 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.546 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.58 121.73 32.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.814 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.84 148.76 22.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.577 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.78 136.53 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.171 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 tt -134.36 111.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.015 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.61 129.62 42.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.589 ' N ' HD22 ' A' ' 87' ' ' LEU . 5.7 t -151.92 162.73 40.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.05 38.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.534 ' HB2' HG23 ' A' ' 88' ' ' THR . 2.7 mp0 -125.34 -60.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.14 72.28 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.558 1.161 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -125.58 120.79 31.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 0.779 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -55.59 -25.93 41.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.69 80.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.17 -35.51 79.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.026 HG13 HG13 ' A' ' 107' ' ' VAL . 59.6 t -61.29 -47.63 92.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.26 -29.13 63.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 1.3 ttpt -61.86 -55.92 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.04 -47.92 33.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.54 -27.79 27.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.41 -20.56 17.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 6.0 tp -66.11 -22.52 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.27 -19.17 1.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.578 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -48.18 154.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.733 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 37.9 t30 -85.63 -42.62 14.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.513 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -170.38 126.82 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 1.026 HG13 HG13 ' A' ' 96' ' ' VAL . 7.1 p -120.71 113.7 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.911 HD23 HG23 ' A' ' 124' ' ' VAL . 3.1 mm? -122.68 152.54 40.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.525 ' C ' ' HD3' ' A' ' 111' ' ' PRO . . . -104.39 152.42 22.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.447 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -115.15 75.86 4.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.525 ' HD3' ' C ' ' A' ' 109' ' ' ALA . 18.3 Cg_endo -75.02 157.43 42.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.17 -8.67 32.94 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.426 1.078 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.66 139.87 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 110.415 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.571 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.8 pt -74.63 -27.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -50.0 67.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.49 ' CB ' ' HG2' ' A' ' 111' ' ' PRO . 5.7 mmtt -76.31 -40.04 52.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.49 ' O ' ' CG1' ' A' ' 121' ' ' ILE . 1.3 tmt? -65.84 -41.98 91.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.571 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 33.8 ttpt -68.55 -33.44 74.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.49 -47.58 47.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.567 ' HB1' ' HB3' ' A' ' 108' ' ' LEU . . . -57.31 -52.41 65.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.558 ' O ' HG12 ' A' ' 124' ' ' VAL . 1.8 pp -60.82 -44.62 97.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.221 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.97 -26.67 49.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.31 -45.08 10.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.911 HG23 HD23 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -59.62 -32.09 48.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -85.57 -54.16 4.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.049 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -61.43 -67.32 2.17 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 32.83 66.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -95.24 127.18 41.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.3 mtp . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.48 0.181 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.15 -35.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.949 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.519 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -146.93 118.34 7.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.238 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.75 -40.69 72.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.233 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' C ' ' N ' ' A' ' 7' ' ' ILE . 14.6 mt-10 -90.35 -45.33 9.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.34 27.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.611 HG23 ' HG2' ' A' ' 32' ' ' LYS . 3.2 tp -121.97 89.59 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.39 1.056 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -124.8 138.2 54.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.786 HG21 ' HB2' ' A' ' 31' ' ' PHE . 13.7 t -102.46 126.8 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.106 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.66 116.98 33.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.898 ' N ' HD22 ' A' ' 10' ' ' LEU . 9.3 pt -136.15 111.07 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.841 HG21 ' O ' ' A' ' 37' ' ' ALA . 8.4 p -132.73 132.62 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.853 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.1 m-20 -138.21 145.06 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.534 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 5.5 t0 -57.5 -33.77 68.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.89 143.9 33.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.191 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.549 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 t -69.81 -41.27 79.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.4 -35.81 68.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.4 m -72.36 -58.22 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.549 ' CG ' ' HA ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -61.3 -30.41 70.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 3.3 tt -71.43 -43.33 66.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.72 -57.22 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.873 HD12 HD12 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -56.78 -49.6 74.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -63.36 -29.68 75.26 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.471 1.107 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 39.1 t70 -75.86 -47.87 23.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 0.809 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HB1' ' SD ' ' A' ' 117' ' ' MET . . . -59.22 -48.42 81.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.47 -25.96 62.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.618 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 2.6 mm-40 -61.07 -49.42 77.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -13.09 26.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -95.63 -13.5 24.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.211 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.618 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 68.66 34.99 79.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.183 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -20.35 -103.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 111.042 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.611 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -163.91 -53.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.638 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -158.09 124.33 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.183 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.3 111.0 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.653 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.68 117.07 24.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 0.0 110.414 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -125.74 140.97 52.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.841 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.65 131.13 14.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 31.81 -89.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.76 -172.46 3.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -40.33 -44.77 3.12 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 16.1 mt-10 -67.25 -55.01 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.83 ' O ' HD13 ' A' ' 46' ' ' ILE . 1.9 tt0 -59.74 -43.27 94.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.728 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -72.44 -23.67 77.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.434 ' HE3' ' HB2' ' A' ' 48' ' ' ALA . 9.0 tpt -69.0 -48.63 62.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.782 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.571 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -70.62 -39.93 73.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.83 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -67.26 -33.42 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.827 ' SD ' HG22 ' A' ' 55' ' ' VAL . 28.9 ttp -77.62 -46.79 21.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.434 ' HB2' ' HE3' ' A' ' 44' ' ' MET . . . -64.69 -43.88 92.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -51.42 -20.09 1.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.639 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.03 -174.26 0.4 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.0 Cg_endo -75.03 149.93 37.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.683 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 56.0 p-80 -166.34 156.48 12.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.587 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.679 ' N ' ' O ' ' A' ' 8' ' ' LYS . 40.0 t-80 -146.91 12.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.639 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -156.08 136.16 12.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.106 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.3 t -133.66 95.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.812 HD11 HD22 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.61 136.77 50.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.488 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -144.35 170.53 15.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.955 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.87 -173.46 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -115.21 16.97 16.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.029 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.534 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -59.25 -82.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.678 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 6.4 mtt -156.76 48.54 0.34 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.678 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.3 Cg_endo -75.0 138.15 22.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.445 1.761 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.495 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 29.6 mmtt -76.34 -19.52 58.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 1.9 tpt -135.79 80.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' GLY . 38.6 t70 -75.78 173.46 11.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.671 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -32.95 -58.63 0.47 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.7 mt -57.86 -45.71 85.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.63 0.841 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -56.5 -42.52 90.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.971 HD22 ' CG1' ' A' ' 55' ' ' VAL . 1.5 mt -64.28 -39.88 94.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 0.777 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.063 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.74 -48.94 79.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -57.56 -35.37 70.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB2' ' HE2' ' A' ' 64' ' ' MET . . . -67.6 -45.72 74.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.063 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -56.01 -36.51 44.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -60.65 -19.9 59.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.66 -21.82 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -128.53 112.83 19.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.571 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.4 Cg_endo -74.93 -4.85 16.03 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.14 66.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 1.002 HG23 HG12 ' A' ' 73' ' ' VAL . 15.1 t -101.93 6.51 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.571 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -71.78 -12.84 61.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.86 7.74 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.644 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -99.71 128.28 45.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.93 121.61 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.835 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -96.49 147.41 23.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.579 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -117.64 135.98 56.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -134.04 110.86 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.038 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.83 129.51 43.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.599 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -152.42 162.14 41.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 38.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' THR . 3.4 mp0 -125.13 -59.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.15 74.48 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -127.1 123.65 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -55.59 -26.83 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.48 81.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.07 -35.87 81.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.232 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.043 HG13 HG13 ' A' ' 107' ' ' VAL . 60.7 t -61.74 -47.15 94.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.04 -30.48 65.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -62.04 -55.22 31.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.8 -48.24 32.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.66 -27.55 28.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -97.31 -20.75 17.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.743 HD23 HD21 ' A' ' 70' ' ' LEU . 20.0 tp -66.41 -22.31 66.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.94 -16.21 2.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.764 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -52.19 144.84 11.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 35.2 t30 -76.3 -42.12 46.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.534 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -169.78 126.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.244 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 1.043 HG13 HG13 ' A' ' 96' ' ' VAL . 7.2 p -117.76 113.6 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.352 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.789 HD23 HG23 ' A' ' 124' ' ' VAL . 1.4 mm? -118.67 153.08 34.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.556 ' C ' ' HD3' ' A' ' 111' ' ' PRO . . . -101.64 154.44 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -114.2 74.75 2.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.556 ' HD3' ' C ' ' A' ' 109' ' ' ALA . 18.5 Cg_endo -74.98 156.98 43.1 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 0.0 111.052 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -72.6 -9.13 58.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.56 141.71 28.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.407 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.569 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 5.6 pt -73.03 -27.28 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -48.36 74.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.42 ' HB3' ' HG3' ' A' ' 111' ' ' PRO . 64.9 mttt -75.55 -43.52 48.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.532 ' SD ' ' HB1' ' A' ' 25' ' ' ALA . 23.4 ttm -63.56 -42.53 98.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 16.3 tttm -67.85 -31.92 72.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.11 66.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 108' ' ' LEU . . . -57.03 -53.72 54.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.516 ' O ' HG12 ' A' ' 124' ' ' VAL . 0.9 OUTLIER -61.84 -41.39 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.5 -24.67 61.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.3 -44.61 9.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.789 HG23 HD23 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -60.28 -31.7 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -98.95 -48.22 4.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.7 -48.32 86.63 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -96.53 60.36 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 0.802 . . . . 0.0 109.239 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.55 HD21 ' NE2' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -77.36 127.0 31.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.242 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 mtp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.467 0.175 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.77 -16.53 57.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.577 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.56 105.34 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.58 60.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.784 ' HB3' HG22 ' A' ' 7' ' ' ILE . 13.8 mt-10 -93.39 -43.18 8.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 110.216 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.509 ' HA ' ' CB ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER 39.23 29.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.829 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.0 tp -115.14 92.35 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.228 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.632 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.97 143.11 49.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.882 HG21 ' HB2' ' A' ' 31' ' ' PHE . 11.6 t -101.78 125.15 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.099 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.2 116.35 31.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.875 ' N ' HD22 ' A' ' 10' ' ' LEU . 5.8 pt -136.3 110.25 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.849 HG21 ' O ' ' A' ' 37' ' ' ALA . 7.8 p -131.8 132.48 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.796 ' CG ' HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -139.23 144.16 38.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.548 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 2.4 t70 -54.22 -52.19 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.83 142.91 29.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.224 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.8 t -69.38 -41.59 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -35.01 69.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.482 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 1.1 m -73.46 -57.25 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.92 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.625 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -62.72 -29.17 70.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.608 1.193 . . . . 0.0 110.33 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 3.6 tt -72.37 -44.26 62.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.8 mt -58.63 -56.56 20.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.848 HD13 HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -56.08 -49.61 73.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.4 -29.54 73.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 44.7 t0 -76.86 -48.64 17.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 0.725 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.75 -47.42 85.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD11 ' HE1' ' A' ' 117' ' ' MET . 7.4 mp -71.65 -27.07 62.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.592 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 1.9 mm-40 -59.69 -47.8 84.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -13.45 62.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.835 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -90.84 -11.51 39.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.356 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.585 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 64.06 26.45 70.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.183 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -18.6 -98.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 111.047 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.607 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -161.69 -57.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.421 1.076 . . . . 0.0 109.383 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.641 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -158.25 129.33 6.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.183 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.3 pt -92.49 111.64 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.62 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -125.66 115.0 19.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.394 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -126.36 142.9 51.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.849 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.55 130.71 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.1 -89.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -146.5 -172.42 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -39.81 -44.36 2.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.494 ' CG ' ' HB2' ' A' ' 63' ' ' LYS . 28.9 mm-40 -67.09 -55.85 12.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.89 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -60.5 -44.18 96.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.781 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -68.85 -26.06 74.85 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.5 tpt -68.71 -51.38 42.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.603 0.825 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -67.89 -34.46 76.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.89 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.7 mp -70.4 -34.58 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.698 ' HG2' ' CG ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -77.74 -46.64 21.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -62.79 -42.6 99.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -50.8 -20.22 1.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.649 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -138.75 -174.43 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.649 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.4 Cg_endo -74.99 150.01 37.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.698 ' CG ' ' HG2' ' A' ' 47' ' ' MET . 43.8 p-80 -163.61 158.08 20.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.629 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.829 ' CB ' HD12 ' A' ' 7' ' ' ILE . 70.1 t60 -147.15 14.11 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.529 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.711 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -157.51 134.33 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.099 HG13 ' CD1' ' A' ' 10' ' ' LEU . 24.1 t -134.38 94.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.848 HD11 HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -114.35 138.82 43.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.523 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -144.57 170.57 15.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.436 ' HB2' ' CB ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -97.79 -173.48 2.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.26 17.68 15.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.548 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -60.35 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.688 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -156.75 47.79 0.31 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 111.056 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.688 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.96 139.07 23.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.494 ' HB2' ' CG ' ' A' ' 41' ' ' GLU . 4.5 mmtp -76.19 -20.72 57.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.6 ' CE ' ' HB2' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -136.55 83.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 111.012 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.8 t70 -76.94 172.75 12.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.608 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -33.16 -58.7 0.5 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.9 mt -57.96 -45.87 86.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -55.55 -42.7 84.86 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.048 HD22 HG11 ' A' ' 55' ' ' VAL . 1.4 mt -64.35 -39.12 93.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.002 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -59.43 -48.18 82.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -30.12 70.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.6 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -73.22 -45.19 57.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.014 HG13 ' O ' ' A' ' 69' ' ' LEU . 2.2 m -56.02 -36.41 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -60.12 -19.88 55.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.03 -24.4 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.678 ' HB3' HG22 ' A' ' 79' ' ' THR . 12.8 t30 -125.25 113.21 26.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.512 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -75.08 -5.83 17.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.25 -32.44 61.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.678 HG22 ' HB3' ' A' ' 76' ' ' ASN . 5.9 t -104.91 6.71 33.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -72.16 -18.18 61.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.426 ' N ' ' HE3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -101.18 7.87 42.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.652 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.29 128.23 44.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -90.52 121.5 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.832 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.75 148.8 22.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.613 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -118.37 136.6 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.417 HD13 ' OD1' ' A' ' 65' ' ' ASP . 1.9 tp -133.3 110.95 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.195 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.029 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.02 130.38 41.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.598 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -151.58 162.33 41.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.04 38.82 0.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.473 ' CD ' ' HG1' ' A' ' 88' ' ' THR . 2.4 mp0 -125.08 -59.84 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 46.48 72.15 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.55 121.92 31.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -26.86 37.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.11 83.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -36.13 82.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' O ' ' CB ' ' A' ' 100' ' ' ALA . 59.9 t -61.46 -47.15 94.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -72.03 -30.87 65.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -60.96 -55.34 34.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 102' ' ' LEU . . . -74.01 -47.53 36.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -54.22 -27.43 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -98.0 -20.17 17.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.676 HD13 ' O ' ' A' ' 102' ' ' LEU . 3.4 tm? -66.8 -22.79 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.73 -19.67 1.82 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.731 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -50.61 144.28 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 0.819 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 32.9 t30 -75.3 -43.13 52.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.429 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.2 m120 -167.22 126.04 1.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 t -118.15 113.1 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.921 HD23 HG23 ' A' ' 124' ' ' VAL . 1.4 mm? -118.77 152.52 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.367 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.513 ' C ' ' HD3' ' A' ' 111' ' ' PRO . . . -98.31 153.5 18.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.432 ' CD ' ' HB3' ' A' ' 22' ' ' LEU . 9.7 ttpt -114.48 76.29 3.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.513 ' HD3' ' C ' ' A' ' 109' ' ' ALA . 18.2 Cg_endo -75.04 157.45 42.61 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.568 1.825 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -69.71 -20.55 63.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.26 140.74 30.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.568 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 4.1 pt -72.82 -26.52 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.61 -47.5 78.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.415 ' HB3' ' HG3' ' A' ' 111' ' ' PRO . 0.3 OUTLIER -75.76 -44.69 40.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.544 ' HE1' HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 36.0 tttt -67.25 -35.31 79.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.23 78.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' A' ' 108' ' ' LEU . . . -56.48 -51.0 70.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.592 ' O ' HG12 ' A' ' 124' ' ' VAL . 24.0 pt -60.59 -43.73 95.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.89 -29.04 59.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.56 -44.93 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.921 HG23 HD23 ' A' ' 108' ' ' LEU . 0.4 OUTLIER -59.86 -31.29 47.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.617 1.198 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -84.16 -63.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.486 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -56.09 -60.83 8.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 34.13 65.24 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -95.1 127.02 40.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtp . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.487 0.184 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -20.26 42.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.617 HD23 ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -136.26 104.95 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.19 -34.27 44.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.668 ' HB3' HG22 ' A' ' 7' ' ' ILE . 3.7 mt-10 -92.82 -44.43 8.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.396 1.06 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER 38.47 30.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.791 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.3 tp -118.85 91.63 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.61 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -122.04 142.28 50.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.843 HG21 ' HB2' ' A' ' 31' ' ' PHE . 4.2 t -101.39 128.45 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.107 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -110.51 117.14 32.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.897 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.4 pp -136.28 110.47 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.786 HG21 ' O ' ' A' ' 37' ' ' ALA . 9.6 p -133.2 130.42 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.78 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.1 m-20 -140.96 143.42 34.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.473 ' CB ' ' CG ' ' A' ' 60' ' ' ASN . 9.9 t70 -55.35 -48.26 74.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.03 140.43 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.565 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . 2.5 t -70.56 -41.39 77.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.26 -36.18 70.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.511 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 27.8 m -72.32 -56.9 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.575 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -62.37 -29.67 70.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 24' ' ' ASP . 4.2 tt -73.17 -44.18 60.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.09 -57.56 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.831 ' CD1' HD13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -57.09 -50.26 73.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 27' ' ' GLN . . . -61.96 -30.61 75.88 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.1 t70 -75.64 -47.81 24.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.747 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.94 -44.99 83.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.432 ' HG ' HD23 ' A' ' 29' ' ' LEU . 6.8 mp -71.87 -26.46 62.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.559 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -60.37 -49.86 75.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.502 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -65.68 -13.16 58.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.893 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -94.52 -12.89 26.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.587 ' O ' ' C ' ' A' ' 31' ' ' PHE . . . 65.4 29.33 74.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.209 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -18.67 -101.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 0.729 . . . . 0.0 111.03 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.652 ' HG2' HG23 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -162.1 -56.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.227 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.574 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -159.16 126.85 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.209 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.2 pt -94.28 113.36 28.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 109.225 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.694 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -124.26 116.05 22.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.53 142.02 51.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.786 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -150.43 129.74 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.393 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 33.6 -90.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.31 -172.17 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 44' ' ' MET . . . -40.76 -40.51 2.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 1.8 tt0 -69.41 -57.87 4.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.555 ' O ' HD13 ' A' ' 46' ' ' ILE . 4.3 tt0 -59.92 -43.93 94.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.742 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -69.88 -26.26 74.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.488 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 5.6 tpt -68.14 -52.7 31.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 0.804 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CG ' HD13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -68.56 -33.46 74.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -70.06 -34.7 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.642 ' CG ' ' CG ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -77.87 -46.48 21.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.435 ' N ' ' SD ' ' A' ' 47' ' ' MET . . . -63.27 -41.73 99.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 3.3 mm-40 -52.53 -20.23 2.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.221 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.623 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -137.07 -175.87 0.52 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.2 Cg_endo -75.03 148.97 35.9 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.642 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 20.4 p-80 -165.78 158.91 15.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 109.643 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.791 ' CB ' HD12 ' A' ' 7' ' ' ILE . 45.6 t-80 -147.06 15.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.588 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.757 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -156.93 131.89 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.107 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.6 t -133.38 94.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -114.5 137.69 47.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.3 t -144.94 171.02 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.473 ' OD2' ' CB ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -97.96 -173.21 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.436 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -116.05 17.77 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.557 ' ND2' ' H ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -59.05 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.684 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -159.19 48.01 0.26 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.4 Cg_endo -74.99 137.87 22.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . 44.9 mmtt -76.25 -19.52 58.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 3.5 tpp -136.05 81.56 1.89 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' GLY . 15.7 t70 -77.49 175.33 9.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.884 ' HA2' HD12 ' A' ' 69' ' ' LEU . . . -32.51 -60.86 0.37 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.8 mt -57.66 -45.7 85.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 0.803 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -54.6 -41.49 73.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.926 HD22 HG11 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -64.68 -43.27 94.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.036 HD22 ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -59.39 -43.78 92.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.687 ' N ' HD13 ' A' ' 70' ' ' LEU . 8.8 mt-30 -59.66 -35.99 75.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.65 72.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.075 HG12 HG23 ' A' ' 79' ' ' THR . 2.0 m -55.64 -36.57 42.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.395 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -20.62 55.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.8 -25.08 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.509 HD22 ' HB3' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -131.9 114.86 15.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.509 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.2 Cg_endo -74.99 -5.7 17.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.509 ' HB3' HD22 ' A' ' 76' ' ' ASN . . . -71.16 -32.97 69.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 1.075 HG23 HG12 ' A' ' 73' ' ' VAL . 14.2 t -102.74 7.07 39.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -78.21 -6.69 55.66 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 8.34 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.57 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -103.65 129.1 50.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.591 ' HB3' HG22 ' A' ' 124' ' ' VAL . . . -89.59 121.0 31.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.816 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -98.0 149.99 21.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.06 . . . . 0.0 111.048 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.588 ' HB ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -121.52 134.26 65.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.569 HG22 HG23 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -132.04 113.1 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.4 130.67 42.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.594 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -150.76 161.25 43.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.404 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.12 38.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.484 ' H ' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -124.9 -58.73 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.248 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 45.83 71.65 0.48 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -125.55 119.47 28.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -25.61 34.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.44 -48.45 81.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.17 -35.63 80.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.855 HG13 HG13 ' A' ' 107' ' ' VAL . 59.1 t -61.17 -47.61 92.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.566 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -72.1 -30.02 64.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 14.4 ttmt -61.47 -55.79 27.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.67 -48.23 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 96' ' ' VAL . . . -53.72 -27.61 29.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.79 -21.34 17.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -66.69 -22.06 66.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.97 -20.75 1.78 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -49.74 146.04 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 24.8 t30 -81.35 -36.67 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.491 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.2 m-20 -172.41 127.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.855 HG13 HG13 ' A' ' 96' ' ' VAL . 12.8 p -128.32 111.97 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.384 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -131.07 153.21 49.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.633 ' O ' ' HD3' ' A' ' 111' ' ' PRO . . . -109.9 152.81 25.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HE3' ' CB ' ' A' ' 87' ' ' LEU . 23.8 mtmt -71.44 107.52 2.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.633 ' HD3' ' O ' ' A' ' 109' ' ' ALA . 18.6 Cg_endo -74.85 158.16 42.93 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.571 1.827 . . . . 0.0 111.069 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.589 ' CD1' ' OG1' ' A' ' 113' ' ' THR . 30.8 p90 -81.83 -18.77 42.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.589 ' OG1' ' CD1' ' A' ' 112' ' ' PHE . 33.3 m -104.96 145.62 30.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 1.5 pt -69.42 -23.18 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.525 ' H ' HG22 ' A' ' 113' ' ' THR . 0.8 OUTLIER -66.43 -42.77 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.428 ' HB3' ' CB ' ' A' ' 111' ' ' PRO . 0.4 OUTLIER -75.44 -38.95 59.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.63 ' N ' ' HG2' ' A' ' 111' ' ' PRO . 3.6 ttp -72.67 -37.6 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 114' ' ' ILE . 7.4 ttpt -73.19 -32.73 64.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.36 -46.24 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.11 -49.25 76.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.644 HD13 HD13 ' A' ' 29' ' ' LEU . 2.3 pp -62.44 -46.26 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.413 ' N ' HD12 ' A' ' 121' ' ' ILE . 9.4 mt-10 -56.43 -25.72 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.27 -42.61 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.591 HG22 ' HB3' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -61.54 -30.95 49.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -88.17 -51.72 5.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -64.96 -66.09 2.63 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 126' ' ' GLY . . . 33.86 67.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -95.25 127.07 41.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 mtp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.549 0.214 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.27 -13.51 56.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.001 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.512 ' CD2' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -143.42 110.37 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.236 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.49 -36.52 55.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' HB3' HG22 ' A' ' 7' ' ' ILE . 9.7 mt-10 -91.89 -46.46 7.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' CA ' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.94 27.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.437 1.085 . . . . 0.0 109.363 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.806 HD12 ' CB ' ' A' ' 53' ' ' HIS . 2.8 tp -122.91 92.05 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.606 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -121.91 139.36 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.816 HG21 ' HB2' ' A' ' 31' ' ' PHE . 10.9 t -100.79 127.54 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.078 ' CD1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.59 117.15 33.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.9 ' N ' HD22 ' A' ' 10' ' ' LEU . 1.4 pp -134.87 109.28 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.805 HG21 ' O ' ' A' ' 37' ' ' ALA . 10.1 p -132.72 130.35 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.887 ' CG ' HD21 ' A' ' 22' ' ' LEU . 2.2 m-20 -139.35 144.83 38.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.528 ' CB ' ' CB ' ' A' ' 60' ' ' ASN . 3.3 t70 -56.04 -47.57 77.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' NE2' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -89.9 143.27 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 20' ' ' LEU . 2.8 t -70.05 -42.6 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.417 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -58.51 -35.62 72.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 110.367 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.2 m -71.79 -57.8 4.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.012 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.61 ' HA ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -63.09 -29.62 70.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 4.0 tt -71.08 -44.66 65.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.7 mt -58.37 -56.89 16.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.887 HD21 ' CG ' ' A' ' 13' ' ' ASP . 0.4 OUTLIER -55.79 -49.96 71.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 27' ' ' GLN . . . -62.43 -29.38 73.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' LEU . 55.0 t0 -76.6 -47.89 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.89 ' HB1' ' SD ' ' A' ' 117' ' ' MET . . . -59.44 -48.01 83.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.004 HD13 HD23 ' A' ' 29' ' ' LEU . 1.8 mm? -71.33 -26.25 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.616 ' HA ' ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -61.49 -49.13 78.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.336 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -12.91 29.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.004 HD23 HD13 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -95.28 -12.99 25.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.616 ' O ' ' O ' ' A' ' 31' ' ' PHE . . . 67.38 33.27 81.56 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.191 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -19.71 -103.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 111.029 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.66 ' HG2' HG23 ' A' ' 7' ' ' ILE . 13.1 tptt -163.51 -54.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.6 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -157.64 124.49 5.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.191 HG23 ' CE2' ' A' ' 31' ' ' PHE . 1.1 pt -95.85 111.95 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.673 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -123.23 116.35 23.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.746 ' HB2' ' O ' ' A' ' 11' ' ' ILE . . . -124.82 140.21 53.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.805 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -149.44 131.31 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ALA . . . 32.51 -89.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -147.21 -171.82 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 64' ' ' MET . . . -41.13 -43.93 3.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG3' ' CB ' ' A' ' 63' ' ' LYS . 12.8 mt-10 -67.72 -54.82 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.822 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.87 -44.3 94.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.679 ' HA2' ' HB3' ' A' ' 37' ' ' ALA . . . -71.63 -24.02 77.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.59 ' HB2' HD21 ' A' ' 69' ' ' LEU . 5.6 tpt -68.42 -49.13 62.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.776 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.552 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.68 -40.7 72.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.822 HD13 ' O ' ' A' ' 42' ' ' GLN . 1.6 mp -66.09 -33.83 66.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.859 ' SD ' HG22 ' A' ' 55' ' ' VAL . 30.0 ttp -77.49 -46.24 23.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.056 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.14 91.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 45' ' ' LYS . 4.0 mm-40 -50.84 -19.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.638 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -135.5 -174.75 0.43 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.068 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.638 ' CD ' ' CB ' ' A' ' 50' ' ' ASN . 18.3 Cg_endo -75.04 150.38 37.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.675 ' CG ' ' CG ' ' A' ' 47' ' ' MET . 55.9 p-80 -166.47 155.8 11.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.549 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.806 ' CB ' HD12 ' A' ' 7' ' ' ILE . 50.0 t-80 -146.48 14.14 1.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.473 1.108 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.661 ' CB ' HG13 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -156.87 134.41 10.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.078 HG13 ' CD1' ' A' ' 10' ' ' LEU . 21.9 t -133.57 95.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.602 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -115.73 135.47 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.18 171.04 14.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.55 -173.56 2.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -115.49 15.46 16.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.528 ' CB ' ' CB ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -57.15 -80.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.668 ' N ' ' HD3' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -159.0 49.38 0.31 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.566 1.166 . . . . 0.0 111.049 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 61' ' ' MET . 18.5 Cg_endo -74.93 138.93 23.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 11.8 mmtm -76.12 -19.52 58.44 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.488 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -138.01 83.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' GLY . 44.7 t0 -76.11 173.69 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.213 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' ASP . . . -32.88 -60.91 0.4 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.447 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.6 mt -57.11 -46.42 82.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . -52.67 -44.79 60.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.006 HD12 HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -65.97 -38.17 87.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.079 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -59.14 -45.34 91.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.659 ' N ' HD13 ' A' ' 70' ' ' LEU . 36.9 mt-30 -61.34 -35.8 78.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.247 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.12 75.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.079 HG22 ' O ' ' A' ' 70' ' ' LEU . 2.2 m -55.79 -36.7 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.222 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -59.51 -21.05 59.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.51 -24.93 14.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -125.97 113.43 24.32 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.585 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 18.1 Cg_endo -75.03 -4.03 14.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.62 -36.37 68.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.872 HG23 HG12 ' A' ' 73' ' ' VAL . 10.4 t -102.94 7.32 39.23 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.587 1.179 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.585 ' HB3' ' HA ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -71.92 -11.77 60.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 8.52 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.595 ' O ' ' CE1' ' A' ' 84' ' ' PHE . . . -98.47 127.62 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' A' ' 54' ' ' LEU . . . -89.81 121.06 31.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.823 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -97.57 147.26 24.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.62 ' N ' ' O ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -118.31 135.71 57.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 tt -132.54 111.64 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.041 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.51 128.97 41.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.594 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.8 p -150.27 162.15 41.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.82 37.66 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' THR . 1.9 mp0 -125.16 -59.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.94 72.08 0.48 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -124.71 116.19 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.322 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -55.6 -24.62 34.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.98 79.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -35.9 80.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.723 HG13 ' HB ' ' A' ' 107' ' ' VAL . 49.0 t -61.51 -47.46 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -71.71 -30.45 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 102' ' ' LEU . 11.0 ttmt -62.23 -55.66 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.85 -49.18 31.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.781 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . . . -52.83 -27.98 20.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' GLN . . . -96.03 -20.15 18.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.809 HD13 ' O ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -66.47 -21.97 66.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.03 -15.85 1.53 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.781 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . . . -52.65 146.3 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 80' ' ' LYS . 29.6 t30 -76.23 -40.9 50.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.423 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 4.5 m-20 -170.21 126.53 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.723 ' HB ' HG13 ' A' ' 96' ' ' VAL . 2.6 t -113.52 116.64 53.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.772 HD21 ' O ' ' A' ' 120' ' ' ALA . 0.7 OUTLIER -120.59 159.6 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.257 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.558 ' C ' ' HD3' ' A' ' 111' ' ' PRO . . . -111.56 153.92 25.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.431 ' CD ' ' O ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -114.1 75.05 2.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.234 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.558 ' HD3' ' C ' ' A' ' 109' ' ' ALA . 18.4 Cg_endo -74.98 157.62 42.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.481 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 17.7 t80 -71.29 -15.33 62.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.75 141.35 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.576 ' O ' ' CB ' ' A' ' 118' ' ' LYS . 5.4 pt -72.83 -27.37 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.77 -47.25 75.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.42 ' CB ' ' CG ' ' A' ' 111' ' ' PRO . 0.8 OUTLIER -74.5 -43.29 56.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.89 ' SD ' ' HB1' ' A' ' 25' ' ' ALA . 13.6 ttm -65.54 -42.1 92.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.645 ' HA ' HD11 ' A' ' 121' ' ' ILE . 22.0 ttpt -66.54 -31.48 72.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.15 -45.91 72.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.772 ' O ' HD21 ' A' ' 108' ' ' LEU . . . -57.59 -57.12 14.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.224 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.645 HD11 ' HA ' ' A' ' 118' ' ' LYS . 0.7 OUTLIER -56.86 -38.85 61.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -62.83 -24.86 67.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.36 -42.91 13.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.739 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 0.3 OUTLIER -56.44 -37.09 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -98.52 -58.0 2.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.393 1.058 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.42 -48.09 71.97 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -98.72 61.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.805 . . . . 0.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.623 HD21 ' CE1' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -69.44 126.78 30.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 stop_ save_